N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-benzylpiperidine-2-carboxamide

C24H31N5O2 — CID 175445979

About N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-benzylpiperidine-2-carboxamide

N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-benzylpiperidine-2-carboxamide (PubChem CID 175445979) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-benzylpiperidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-benzylpiperidine-2-carboxamide
• PubChem CID: 175445979
• Molecular Formula: C24H31N5O2
• Molecular Weight: 421.55 g/mol
• Exact Mass: 421.25
• IUPAC Name: N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-benzylpiperidine-2-carboxamide
• SMILES: CC(NC(=O)C1CC(Cc2ccccc2)CCN1)C(=O)N[C@@H]1CCc2nc(N)ccc21
• InChI: InChI=1S/C24H31N5O2/c1-15(23(30)29-20-9-8-19-18(20)7-10-22(25)28-19)27-24(31)21-14-17(11-12-26-21)13-16-5-3-2-4-6-16/h2-7,10,15,17,20-21,26H,8-9,11-14H2,1H3,(H2,25,28)(H,27,31)(H,29,30)/t15?,17?,20-,21?/m1/s1
• InChIKey: KGDCLVGRERBCPK-YMKQNUHNSA-N
• XLogP: 1.88
• TPSA: 109.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.55
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-benzylpiperidine-2-carboxamide?

The IUPAC name of N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-benzylpiperidine-2-carboxamide (CID 175445979) is N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-benzylpiperidine-2-carboxamide.

What is the SMILES notation for N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-benzylpiperidine-2-carboxamide?

The canonical SMILES for N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-benzylpiperidine-2-carboxamide is CC(NC(=O)C1CC(Cc2ccccc2)CCN1)C(=O)N[C@@H]1CCc2nc(N)ccc21.

What is the InChIKey of N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-benzylpiperidine-2-carboxamide?

The InChIKey is KGDCLVGRERBCPK-YMKQNUHNSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-15(23(30)29-20-9-8-19-18(20)7-10-22(25)28-19)27-24(31)21-14-17(11-12-26-21)13-16-5-3-2-4-6-16/h2-7,10,15,17,20-21,26H,8-9,11-14H2,1H3,(H2,25,28)(H,27,31)(H,29,30)/t15?,17?,20-,21?/m1/s1.

What are the key properties of N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-benzylpiperidine-2-carboxamide?

N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-benzylpiperidine-2-carboxamide has a molecular weight of 421.55 g/mol, XLogP of 1.88, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-benzylpiperidine-2-carboxamide is sourced from PubChem (CID 175445979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).