2-[(3S)-3-[5-(aminomethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)propanamide

C19H24ClN5O2 — CID 174231163

About 2-[(3S)-3-[5-(aminomethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)propanamide

2-[(3S)-3-[5-(aminomethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)propanamide (PubChem CID 174231163) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 2-[(3S)-3-[5-(aminomethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)propanamide.

Molecular Properties

• Compound Name: 2-[(3S)-3-[5-(aminomethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)propanamide
• PubChem CID: 174231163
• Molecular Formula: C19H24ClN5O2
• Molecular Weight: 389.89 g/mol
• Exact Mass: 389.16
• IUPAC Name: 2-[(3S)-3-[5-(aminomethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)propanamide
• SMILES: CC(C(=O)Nc1ccc(Cl)cn1)N1CCC[C@@H](c2c[nH]c(=O)c(CN)c2)C1
• InChI: InChI=1S/C19H24ClN5O2/c1-12(18(26)24-17-5-4-16(20)10-22-17)25-6-2-3-13(11-25)15-7-14(8-21)19(27)23-9-15/h4-5,7,9-10,12-13H,2-3,6,8,11,21H2,1H3,(H,23,27)(H,22,24,26)/t12?,13-/m1/s1
• InChIKey: WBXBKONGCSSTMD-ZGTCLIOFSA-N
• XLogP: 2.09
• TPSA: 104.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.89
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[5-(aminomethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)propanamide?

The IUPAC name of 2-[(3S)-3-[5-(aminomethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)propanamide (CID 174231163) is 2-[(3S)-3-[5-(aminomethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)propanamide.

What is the SMILES notation for 2-[(3S)-3-[5-(aminomethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)propanamide?

The canonical SMILES for 2-[(3S)-3-[5-(aminomethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)propanamide is CC(C(=O)Nc1ccc(Cl)cn1)N1CCC[C@@H](c2c[nH]c(=O)c(CN)c2)C1.

What is the InChIKey of 2-[(3S)-3-[5-(aminomethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)propanamide?

The InChIKey is WBXBKONGCSSTMD-ZGTCLIOFSA-N. The full InChI is InChI=1S/C19H24ClN5O2/c1-12(18(26)24-17-5-4-16(20)10-22-17)25-6-2-3-13(11-25)15-7-14(8-21)19(27)23-9-15/h4-5,7,9-10,12-13H,2-3,6,8,11,21H2,1H3,(H,23,27)(H,22,24,26)/t12?,13-/m1/s1.

What are the key properties of 2-[(3S)-3-[5-(aminomethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)propanamide?

2-[(3S)-3-[5-(aminomethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)propanamide has a molecular weight of 389.89 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-3-[5-(aminomethyl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]-N-(5-chloro-2-pyridinyl)propanamide is sourced from PubChem (CID 174231163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).