N-(cyclopropylmethyl)-6-[1-[3-[(3S)-3-methylpiperidin-1-yl]propanoyl]piperidin-4-yl]pyridine-3-carboxamide

C24H36N4O2 — CID 95834350

About N-(cyclopropylmethyl)-6-[1-[3-[(3S)-3-methylpiperidin-1-yl]propanoyl]piperidin-4-yl]pyridine-3-carboxamide

N-(cyclopropylmethyl)-6-[1-[3-[(3S)-3-methylpiperidin-1-yl]propanoyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 95834350) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[1-[3-[(3S)-3-methylpiperidin-1-yl]propanoyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-6-[1-[3-[(3S)-3-methylpiperidin-1-yl]propanoyl]piperidin-4-yl]pyridine-3-carboxamide
• PubChem CID: 95834350
• Molecular Formula: C24H36N4O2
• Molecular Weight: 412.58 g/mol
• Exact Mass: 412.28
• IUPAC Name: N-(cyclopropylmethyl)-6-[1-[3-[(3S)-3-methylpiperidin-1-yl]propanoyl]piperidin-4-yl]pyridine-3-carboxamide
• SMILES: C[C@H]1CCCN(CCC(=O)N2CCC(c3ccc(C(=O)NCC4CC4)cn3)CC2)C1
• InChI: InChI=1S/C24H36N4O2/c1-18-3-2-11-27(17-18)12-10-23(29)28-13-8-20(9-14-28)22-7-6-21(16-25-22)24(30)26-15-19-4-5-19/h6-7,16,18-20H,2-5,8-15,17H2,1H3,(H,26,30)/t18-/m0/s1
• InChIKey: FGIQTAOUFKWNKU-SFHVURJKSA-N
• XLogP: 3.05
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.58
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[1-[3-[(3S)-3-methylpiperidin-1-yl]propanoyl]piperidin-4-yl]pyridine-3-carboxamide?

The IUPAC name of N-(cyclopropylmethyl)-6-[1-[3-[(3S)-3-methylpiperidin-1-yl]propanoyl]piperidin-4-yl]pyridine-3-carboxamide (CID 95834350) is N-(cyclopropylmethyl)-6-[1-[3-[(3S)-3-methylpiperidin-1-yl]propanoyl]piperidin-4-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-(cyclopropylmethyl)-6-[1-[3-[(3S)-3-methylpiperidin-1-yl]propanoyl]piperidin-4-yl]pyridine-3-carboxamide?

The canonical SMILES for N-(cyclopropylmethyl)-6-[1-[3-[(3S)-3-methylpiperidin-1-yl]propanoyl]piperidin-4-yl]pyridine-3-carboxamide is C[C@H]1CCCN(CCC(=O)N2CCC(c3ccc(C(=O)NCC4CC4)cn3)CC2)C1.

What is the InChIKey of N-(cyclopropylmethyl)-6-[1-[3-[(3S)-3-methylpiperidin-1-yl]propanoyl]piperidin-4-yl]pyridine-3-carboxamide?

The InChIKey is FGIQTAOUFKWNKU-SFHVURJKSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-18-3-2-11-27(17-18)12-10-23(29)28-13-8-20(9-14-28)22-7-6-21(16-25-22)24(30)26-15-19-4-5-19/h6-7,16,18-20H,2-5,8-15,17H2,1H3,(H,26,30)/t18-/m0/s1.

What are the key properties of N-(cyclopropylmethyl)-6-[1-[3-[(3S)-3-methylpiperidin-1-yl]propanoyl]piperidin-4-yl]pyridine-3-carboxamide?

N-(cyclopropylmethyl)-6-[1-[3-[(3S)-3-methylpiperidin-1-yl]propanoyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 412.58 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-6-[1-[3-[(3S)-3-methylpiperidin-1-yl]propanoyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95834350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).