4-chloro-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-2-carboxamide;bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide);bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide)

C130H136ClF12N19O25 — CID 158669089

About 4-chloro-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-2-carboxamide;bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide);bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide)

4-chloro-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-2-carboxamide;bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide);bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide) (PubChem CID 158669089) has the molecular formula C130H136ClF12N19O25 and a molecular weight of 2628.05 g/mol. Its IUPAC name is 4-chloro-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-2-carboxamide;bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide);bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide).

Molecular Properties

• Compound Name: 4-chloro-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-2-carboxamide;bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide);bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide)
• PubChem CID: 158669089
• Molecular Formula: C130H136ClF12N19O25
• Molecular Weight: 2628.05 g/mol
• Exact Mass: 2625.95
• IUPAC Name: 4-chloro-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-2-carboxamide;bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide);bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide)
• SMILES: Cc1ccc(NC(=O)c2cc(C(F)(F)F)ncn2)cc1-c1cc(OC[C@H](O)CO)nc(C2CCOCC2)c1.Cc1ccc(NC(=O)c2cc(C(F)(F)F)ncn2)cc1-c1cc(OC[C@H](O)CO)nc(C2CCOCC2)c1.Cc1ccc(NC(=O)c2cc(Cl)ccn2)cc1-c1cc(OC[C@H](O)CO)nc(C2CCOCC2)c1.Cc1ccc(NC(=O)c2cnc(C(F)(F)F)cn2)cc1-c1cc(OC[C@H](O)CO)nc(C2CCOCC2)c1.Cc1ccc(NC(=O)c2cnc(C(F)(F)F)cn2)cc1-c1cc(OC[C@H](O)CO)nc(C2CCOCC2)c1
• InChI: InChI=1S/C26H28ClN3O5.4C26H27F3N4O5/c1-16-2-3-20(29-26(33)24-12-19(27)4-7-28-24)13-22(16)18-10-23(17-5-8-34-9-6-17)30-25(11-18)35-15-21(32)14-31;2*1-15-2-3-18(32-25(36)22-11-31-23(12-30-22)26(27,28)29)10-20(15)17-8-21(16-4-6-37-7-5-16)33-24(9-17)38-14-19(35)13-34;2*1-15-2-3-18(32-25(36)22-11-23(26(27,28)29)31-14-30-22)10-20(15)17-8-21(16-4-6-37-7-5-16)33-24(9-17)38-13-19(35)12-34/h2-4,7,10-13,17,21,31-32H,5-6,8-9,14-15H2,1H3,(H,29,33);2*2-3,8-12,16,19,34-35H,4-7,13-14H2,1H3,(H,32,36);2*2-3,8-11,14,16,19,34-35H,4-7,12-13H2,1H3,(H,32,36)/t21-;4*19-/m11111/s1
• InChIKey: IDSMIMSZPVPHHD-MLCJEICKSA-N
• XLogP: 18.96
• TPSA: 620.56 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 39
• Rotatable Bonds: 40
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2628.05
LogP ≤ 5	18.96
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-2-carboxamide;bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide);bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide)?

The IUPAC name of 4-chloro-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-2-carboxamide;bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide);bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide) (CID 158669089) is 4-chloro-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-2-carboxamide;bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide);bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide).

What is the SMILES notation for 4-chloro-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-2-carboxamide;bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide);bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide)?

The canonical SMILES for 4-chloro-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-2-carboxamide;bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide);bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide) is Cc1ccc(NC(=O)c2cc(C(F)(F)F)ncn2)cc1-c1cc(OC[C@H](O)CO)nc(C2CCOCC2)c1.Cc1ccc(NC(=O)c2cc(C(F)(F)F)ncn2)cc1-c1cc(OC[C@H](O)CO)nc(C2CCOCC2)c1.Cc1ccc(NC(=O)c2cc(Cl)ccn2)cc1-c1cc(OC[C@H](O)CO)nc(C2CCOCC2)c1.Cc1ccc(NC(=O)c2cnc(C(F)(F)F)cn2)cc1-c1cc(OC[C@H](O)CO)nc(C2CCOCC2)c1.Cc1ccc(NC(=O)c2cnc(C(F)(F)F)cn2)cc1-c1cc(OC[C@H](O)CO)nc(C2CCOCC2)c1.

What is the InChIKey of 4-chloro-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-2-carboxamide;bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide);bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide)?

The InChIKey is IDSMIMSZPVPHHD-MLCJEICKSA-N. The full InChI is InChI=1S/C26H28ClN3O5.4C26H27F3N4O5/c1-16-2-3-20(29-26(33)24-12-19(27)4-7-28-24)13-22(16)18-10-23(17-5-8-34-9-6-17)30-25(11-18)35-15-21(32)14-31;2*1-15-2-3-18(32-25(36)22-11-31-23(12-30-22)26(27,28)29)10-20(15)17-8-21(16-4-6-37-7-5-16)33-24(9-17)38-14-19(35)13-34;2*1-15-2-3-18(32-25(36)22-11-23(26(27,28)29)31-14-30-22)10-20(15)17-8-21(16-4-6-37-7-5-16)33-24(9-17)38-13-19(35)12-34/h2-4,7,10-13,17,21,31-32H,5-6,8-9,14-15H2,1H3,(H,29,33);2*2-3,8-12,16,19,34-35H,4-7,13-14H2,1H3,(H,32,36);2*2-3,8-11,14,16,19,34-35H,4-7,12-13H2,1H3,(H,32,36)/t21-;4*19-/m11111/s1.

What are the key properties of 4-chloro-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-2-carboxamide;bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide);bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide)?

4-chloro-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-2-carboxamide;bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide);bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide) has a molecular weight of 2628.05 g/mol, XLogP of 18.96, 40 rotatable bonds, 15 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-2-carboxamide;bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide);bis(N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide) is sourced from PubChem (CID 158669089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).