N-(cyclopropylmethyl)-6-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide

C22H26N4O3 — CID 95834318

About N-(cyclopropylmethyl)-6-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide

N-(cyclopropylmethyl)-6-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide (PubChem CID 95834318) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-6-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
• PubChem CID: 95834318
• Molecular Formula: C22H26N4O3
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.20
• IUPAC Name: N-(cyclopropylmethyl)-6-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
• SMILES: Cn1cc(C(=O)N2CCC[C@H](c3ccc(C(=O)NCC4CC4)cn3)C2)ccc1=O
• InChI: InChI=1S/C22H26N4O3/c1-25-13-18(7-9-20(25)27)22(29)26-10-2-3-17(14-26)19-8-6-16(12-23-19)21(28)24-11-15-4-5-15/h6-9,12-13,15,17H,2-5,10-11,14H2,1H3,(H,24,28)/t17-/m0/s1
• InChIKey: CUNAAQMIASUBNO-KRWDZBQOSA-N
• XLogP: 1.94
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.48
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide?

The IUPAC name of N-(cyclopropylmethyl)-6-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide (CID 95834318) is N-(cyclopropylmethyl)-6-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-(cyclopropylmethyl)-6-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide?

The canonical SMILES for N-(cyclopropylmethyl)-6-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide is Cn1cc(C(=O)N2CCC[C@H](c3ccc(C(=O)NCC4CC4)cn3)C2)ccc1=O.

What is the InChIKey of N-(cyclopropylmethyl)-6-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide?

The InChIKey is CUNAAQMIASUBNO-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-25-13-18(7-9-20(25)27)22(29)26-10-2-3-17(14-26)19-8-6-16(12-23-19)21(28)24-11-15-4-5-15/h6-9,12-13,15,17H,2-5,10-11,14H2,1H3,(H,24,28)/t17-/m0/s1.

What are the key properties of N-(cyclopropylmethyl)-6-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide?

N-(cyclopropylmethyl)-6-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-6-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95834318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).