N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-6-cyanopyridine-2-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide

C38H34Cl2F2N8O5 — CID 158495287

About N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-6-cyanopyridine-2-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide

N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-6-cyanopyridine-2-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide (PubChem CID 158495287) has the molecular formula C38H34Cl2F2N8O5 and a molecular weight of 791.64 g/mol. Its IUPAC name is N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-6-cyanopyridine-2-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-6-cyanopyridine-2-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide
• PubChem CID: 158495287
• Molecular Formula: C38H34Cl2F2N8O5
• Molecular Weight: 791.64 g/mol
• Exact Mass: 790.20
• IUPAC Name: N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-6-cyanopyridine-2-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide
• SMILES: N#Cc1cccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2Cl)n1.O=C(Nc1ccc([C@H]2CNCCO2)c(Cl)c1)c1cnn(-c2ccc(OC(F)F)cc2)c1
• InChI: InChI=1S/C21H19ClF2N4O3.C17H15ClN4O2/c22-18-9-14(1-6-17(18)19-11-25-7-8-30-19)27-20(29)13-10-26-28(12-13)15-2-4-16(5-3-15)31-21(23)24;18-13-8-11(16-10-20-6-7-24-16)4-5-14(13)22-17(23)15-3-1-2-12(9-19)21-15/h1-6,9-10,12,19,21,25H,7-8,11H2,(H,27,29);1-5,8,16,20H,6-7,10H2,(H,22,23)/t19-;16-/m10/s1
• InChIKey: HJFADDHMMJZRGT-VVRIKQGASA-N
• XLogP: 6.56
• TPSA: 164.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	791.64
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-6-cyanopyridine-2-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide?

The IUPAC name of N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-6-cyanopyridine-2-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide (CID 158495287) is N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-6-cyanopyridine-2-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide.

What is the SMILES notation for N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-6-cyanopyridine-2-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide?

The canonical SMILES for N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-6-cyanopyridine-2-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide is N#Cc1cccc(C(=O)Nc2ccc([C@@H]3CNCCO3)cc2Cl)n1.O=C(Nc1ccc([C@H]2CNCCO2)c(Cl)c1)c1cnn(-c2ccc(OC(F)F)cc2)c1.

What is the InChIKey of N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-6-cyanopyridine-2-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide?

The InChIKey is HJFADDHMMJZRGT-VVRIKQGASA-N. The full InChI is InChI=1S/C21H19ClF2N4O3.C17H15ClN4O2/c22-18-9-14(1-6-17(18)19-11-25-7-8-30-19)27-20(29)13-10-26-28(12-13)15-2-4-16(5-3-15)31-21(23)24;18-13-8-11(16-10-20-6-7-24-16)4-5-14(13)22-17(23)15-3-1-2-12(9-19)21-15/h1-6,9-10,12,19,21,25H,7-8,11H2,(H,27,29);1-5,8,16,20H,6-7,10H2,(H,22,23)/t19-;16-/m10/s1.

What are the key properties of N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-6-cyanopyridine-2-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide?

N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-6-cyanopyridine-2-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide has a molecular weight of 791.64 g/mol, XLogP of 6.56, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-6-cyanopyridine-2-carboxamide;N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-[4-(difluoromethoxy)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 158495287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).