N-[2-chloro-3-[3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide

C40H43ClN6O2 — CID 170266121

About N-[2-chloro-3-[3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide

N-[2-chloro-3-[3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide (PubChem CID 170266121) has the molecular formula C40H43ClN6O2 and a molecular weight of 675.28 g/mol. Its IUPAC name is N-[2-chloro-3-[3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
• PubChem CID: 170266121
• Molecular Formula: C40H43ClN6O2
• Molecular Weight: 675.28 g/mol
• Exact Mass: 674.31
• IUPAC Name: N-[2-chloro-3-[3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
• SMILES: Cc1c(NC(=O)c2cc(C3CC3)c(CN3CCCCC3)cn2)cccc1-c1cccc(NC(=O)c2cc3c(cn2)CN(C2CC2)CC3)c1Cl
• InChI: InChI=1S/C40H43ClN6O2/c1-25-31(7-5-9-34(25)44-40(49)37-20-33(26-11-12-26)29(22-43-37)23-46-16-3-2-4-17-46)32-8-6-10-35(38(32)41)45-39(48)36-19-27-15-18-47(30-13-14-30)24-28(27)21-42-36/h5-10,19-22,26,30H,2-4,11-18,23-24H2,1H3,(H,44,49)(H,45,48)
• InChIKey: JRKDYIJSDIHROV-UHFFFAOYSA-N
• XLogP: 7.99
• TPSA: 90.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.28
LogP ≤ 5	7.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?

The IUPAC name of N-[2-chloro-3-[3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide (CID 170266121) is N-[2-chloro-3-[3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide.

What is the SMILES notation for N-[2-chloro-3-[3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?

The canonical SMILES for N-[2-chloro-3-[3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide is Cc1c(NC(=O)c2cc(C3CC3)c(CN3CCCCC3)cn2)cccc1-c1cccc(NC(=O)c2cc3c(cn2)CN(C2CC2)CC3)c1Cl.

What is the InChIKey of N-[2-chloro-3-[3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?

The InChIKey is JRKDYIJSDIHROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H43ClN6O2/c1-25-31(7-5-9-34(25)44-40(49)37-20-33(26-11-12-26)29(22-43-37)23-46-16-3-2-4-17-46)32-8-6-10-35(38(32)41)45-39(48)36-19-27-15-18-47(30-13-14-30)24-28(27)21-42-36/h5-10,19-22,26,30H,2-4,11-18,23-24H2,1H3,(H,44,49)(H,45,48).

What are the key properties of N-[2-chloro-3-[3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?

N-[2-chloro-3-[3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide has a molecular weight of 675.28 g/mol, XLogP of 7.99, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-7-cyclopropyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 170266121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).