N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(piperidin-4-ylamino)pyridine-3-carboxamide

C20H33N5O — CID 95555888

About N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(piperidin-4-ylamino)pyridine-3-carboxamide

N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(piperidin-4-ylamino)pyridine-3-carboxamide (PubChem CID 95555888) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(piperidin-4-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(piperidin-4-ylamino)pyridine-3-carboxamide
• PubChem CID: 95555888
• Molecular Formula: C20H33N5O
• Molecular Weight: 359.52 g/mol
• Exact Mass: 359.27
• IUPAC Name: N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(piperidin-4-ylamino)pyridine-3-carboxamide
• SMILES: CC(C)CN1CC[C@@H](CNC(=O)c2ccc(NC3CCNCC3)nc2)C1
• InChI: InChI=1S/C20H33N5O/c1-15(2)13-25-10-7-16(14-25)11-23-20(26)17-3-4-19(22-12-17)24-18-5-8-21-9-6-18/h3-4,12,15-16,18,21H,5-11,13-14H2,1-2H3,(H,22,24)(H,23,26)/t16-/m0/s1
• InChIKey: LEWOBWLPEGWPOE-INIZCTEOSA-N
• XLogP: 1.95
• TPSA: 69.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.52
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(piperidin-4-ylamino)pyridine-3-carboxamide?

The IUPAC name of N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(piperidin-4-ylamino)pyridine-3-carboxamide (CID 95555888) is N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(piperidin-4-ylamino)pyridine-3-carboxamide.

What is the SMILES notation for N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(piperidin-4-ylamino)pyridine-3-carboxamide?

The canonical SMILES for N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(piperidin-4-ylamino)pyridine-3-carboxamide is CC(C)CN1CC[C@@H](CNC(=O)c2ccc(NC3CCNCC3)nc2)C1.

What is the InChIKey of N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(piperidin-4-ylamino)pyridine-3-carboxamide?

The InChIKey is LEWOBWLPEGWPOE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H33N5O/c1-15(2)13-25-10-7-16(14-25)11-23-20(26)17-3-4-19(22-12-17)24-18-5-8-21-9-6-18/h3-4,12,15-16,18,21H,5-11,13-14H2,1-2H3,(H,22,24)(H,23,26)/t16-/m0/s1.

What are the key properties of N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(piperidin-4-ylamino)pyridine-3-carboxamide?

N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(piperidin-4-ylamino)pyridine-3-carboxamide has a molecular weight of 359.52 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(piperidin-4-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 95555888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).