N-[2-[2-methoxyethyl(methyl)amino]-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide

C35H43N7O3 — CID 118146975

About N-[2-[2-methoxyethyl(methyl)amino]-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide

N-[2-[2-methoxyethyl(methyl)amino]-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118146975) has the molecular formula C35H43N7O3 and a molecular weight of 609.78 g/mol. Its IUPAC name is N-[2-[2-methoxyethyl(methyl)amino]-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-methoxyethyl(methyl)amino]-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
• PubChem CID: 118146975
• Molecular Formula: C35H43N7O3
• Molecular Weight: 609.78 g/mol
• Exact Mass: 609.34
• IUPAC Name: N-[2-[2-methoxyethyl(methyl)amino]-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
• SMILES: COCCN(C)c1ccc(C(=O)N2CCC(c3ccc(-c4cnn(C)c4)cc3)CC2)cc1NC(=O)c1ccc(NC(C)C)nc1
• InChI: InChI=1S/C35H43N7O3/c1-24(2)38-33-13-11-29(21-36-33)34(43)39-31-20-28(10-12-32(31)40(3)18-19-45-5)35(44)42-16-14-27(15-17-42)25-6-8-26(9-7-25)30-22-37-41(4)23-30/h6-13,20-24,27H,14-19H2,1-5H3,(H,36,38)(H,39,43)
• InChIKey: FUXCBCRWDBJEBN-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 104.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.78
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?

The IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide (CID 118146975) is N-[2-[2-methoxyethyl(methyl)amino]-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide.

What is the SMILES notation for N-[2-[2-methoxyethyl(methyl)amino]-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?

The canonical SMILES for N-[2-[2-methoxyethyl(methyl)amino]-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide is COCCN(C)c1ccc(C(=O)N2CCC(c3ccc(-c4cnn(C)c4)cc3)CC2)cc1NC(=O)c1ccc(NC(C)C)nc1.

What is the InChIKey of N-[2-[2-methoxyethyl(methyl)amino]-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?

The InChIKey is FUXCBCRWDBJEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N7O3/c1-24(2)38-33-13-11-29(21-36-33)34(43)39-31-20-28(10-12-32(31)40(3)18-19-45-5)35(44)42-16-14-27(15-17-42)25-6-8-26(9-7-25)30-22-37-41(4)23-30/h6-13,20-24,27H,14-19H2,1-5H3,(H,36,38)(H,39,43).

What are the key properties of N-[2-[2-methoxyethyl(methyl)amino]-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?

N-[2-[2-methoxyethyl(methyl)amino]-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 609.78 g/mol, XLogP of 5.66, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-methoxyethyl(methyl)amino]-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118146975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).