6-[(3-chlorophenyl)methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[3-(1,1-difluoroethyl)phenyl]methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

C100H110ClF2N21O8 — CID 167706158

About 6-[(3-chlorophenyl)methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[3-(1,1-difluoroethyl)phenyl]methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide

6-[(3-chlorophenyl)methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[3-(1,1-difluoroethyl)phenyl]methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (PubChem CID 167706158) has the molecular formula C100H110ClF2N21O8 and a molecular weight of 1807.57 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[3-(1,1-difluoroethyl)phenyl]methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.

Molecular Properties

• Compound Name: 6-[(3-chlorophenyl)methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[3-(1,1-difluoroethyl)phenyl]methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
• PubChem CID: 167706158
• Molecular Formula: C100H110ClF2N21O8
• Molecular Weight: 1807.57 g/mol
• Exact Mass: 1805.85
• IUPAC Name: 6-[(3-chlorophenyl)methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[3-(1,1-difluoroethyl)phenyl]methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
• SMILES: CC(F)(F)c1cccc(CNc2ccc(C(=O)N[C@H]3COc4cc(N5CCNCC5)ccc4C3)cn2)c1.O=C(N[C@H]1COc2cc(N3CCNCC3)ccc2C1)c1ccc(NCc2cccc(Cl)c2)nc1.O=C(N[C@H]1COc2cc(N3CCNCC3)ccc2C1)c1ccc(NCc2cccnc2)nc1.O=C(N[C@H]1COc2cc(N3CCNCC3)ccc2C1)c1ccn2cccnc12
• InChI: InChI=1S/C28H31F2N5O2.C26H28ClN5O2.C25H28N6O2.C21H23N5O2/c1-28(29,30)22-4-2-3-19(13-22)16-32-26-8-6-21(17-33-26)27(36)34-23-14-20-5-7-24(15-25(20)37-18-23)35-11-9-31-10-12-35;27-21-3-1-2-18(12-21)15-29-25-7-5-20(16-30-25)26(33)31-22-13-19-4-6-23(14-24(19)34-17-22)32-10-8-28-9-11-32;32-25(20-4-6-24(29-16-20)28-15-18-2-1-7-27-14-18)30-21-12-19-3-5-22(13-23(19)33-17-21)31-10-8-26-9-11-31;27-21(18-4-9-26-8-1-5-23-20(18)26)24-16-12-15-2-3-17(13-19(15)28-14-16)25-10-6-22-7-11-25/h2-8,13,15,17,23,31H,9-12,14,16,18H2,1H3,(H,32,33)(H,34,36);1-7,12,14,16,22,28H,8-11,13,15,17H2,(H,29,30)(H,31,33);1-7,13-14,16,21,26H,8-12,15,17H2,(H,28,29)(H,30,32);1-5,8-9,13,16,22H,6-7,10-12,14H2,(H,24,27)/t23-;22-;21-;16-/m1111/s1
• InChIKey: ZDCUZXXHQNTTQY-WCNJOLIOSA-N
• XLogP: 11.15
• TPSA: 319.35 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1807.57
LogP ≤ 5	11.15
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[3-(1,1-difluoroethyl)phenyl]methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?

The IUPAC name of 6-[(3-chlorophenyl)methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[3-(1,1-difluoroethyl)phenyl]methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide (CID 167706158) is 6-[(3-chlorophenyl)methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[3-(1,1-difluoroethyl)phenyl]methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide.

What is the SMILES notation for 6-[(3-chlorophenyl)methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[3-(1,1-difluoroethyl)phenyl]methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?

The canonical SMILES for 6-[(3-chlorophenyl)methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[3-(1,1-difluoroethyl)phenyl]methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is CC(F)(F)c1cccc(CNc2ccc(C(=O)N[C@H]3COc4cc(N5CCNCC5)ccc4C3)cn2)c1.O=C(N[C@H]1COc2cc(N3CCNCC3)ccc2C1)c1ccc(NCc2cccc(Cl)c2)nc1.O=C(N[C@H]1COc2cc(N3CCNCC3)ccc2C1)c1ccc(NCc2cccnc2)nc1.O=C(N[C@H]1COc2cc(N3CCNCC3)ccc2C1)c1ccn2cccnc12.

What is the InChIKey of 6-[(3-chlorophenyl)methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[3-(1,1-difluoroethyl)phenyl]methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?

The InChIKey is ZDCUZXXHQNTTQY-WCNJOLIOSA-N. The full InChI is InChI=1S/C28H31F2N5O2.C26H28ClN5O2.C25H28N6O2.C21H23N5O2/c1-28(29,30)22-4-2-3-19(13-22)16-32-26-8-6-21(17-33-26)27(36)34-23-14-20-5-7-24(15-25(20)37-18-23)35-11-9-31-10-12-35;27-21-3-1-2-18(12-21)15-29-25-7-5-20(16-30-25)26(33)31-22-13-19-4-6-23(14-24(19)34-17-22)32-10-8-28-9-11-32;32-25(20-4-6-24(29-16-20)28-15-18-2-1-7-27-14-18)30-21-12-19-3-5-22(13-23(19)33-17-21)31-10-8-26-9-11-31;27-21(18-4-9-26-8-1-5-23-20(18)26)24-16-12-15-2-3-17(13-19(15)28-14-16)25-10-6-22-7-11-25/h2-8,13,15,17,23,31H,9-12,14,16,18H2,1H3,(H,32,33)(H,34,36);1-7,12,14,16,22,28H,8-11,13,15,17H2,(H,29,30)(H,31,33);1-7,13-14,16,21,26H,8-12,15,17H2,(H,28,29)(H,30,32);1-5,8-9,13,16,22H,6-7,10-12,14H2,(H,24,27)/t23-;22-;21-;16-/m1111/s1.

What are the key properties of 6-[(3-chlorophenyl)methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[3-(1,1-difluoroethyl)phenyl]methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide?

6-[(3-chlorophenyl)methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[3-(1,1-difluoroethyl)phenyl]methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide has a molecular weight of 1807.57 g/mol, XLogP of 11.15, 22 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3-chlorophenyl)methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;6-[[3-(1,1-difluoroethyl)phenyl]methylamino]-N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide;N-[(3R)-7-piperazin-1-yl-3,4-dihydro-2H-chromen-3-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 167706158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).