(2R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(3-chlorophenyl)piperazine-2-carboxamide

C22H27ClN6O2 — CID 172549809

About (2R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(3-chlorophenyl)piperazine-2-carboxamide

(2R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(3-chlorophenyl)piperazine-2-carboxamide (PubChem CID 172549809) has the molecular formula C22H27ClN6O2 and a molecular weight of 442.95 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(3-chlorophenyl)piperazine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(3-chlorophenyl)piperazine-2-carboxamide
• PubChem CID: 172549809
• Molecular Formula: C22H27ClN6O2
• Molecular Weight: 442.95 g/mol
• Exact Mass: 442.19
• IUPAC Name: (2R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(3-chlorophenyl)piperazine-2-carboxamide
• SMILES: C[C@H](NC(=O)[C@H]1CN(c2cccc(Cl)c2)CCN1)C(=O)N[C@@H]1CCc2nc(N)ccc21
• InChI: InChI=1S/C22H27ClN6O2/c1-13(21(30)28-18-7-6-17-16(18)5-8-20(24)27-17)26-22(31)19-12-29(10-9-25-19)15-4-2-3-14(23)11-15/h2-5,8,11,13,18-19,25H,6-7,9-10,12H2,1H3,(H2,24,27)(H,26,31)(H,28,30)/t13-,18+,19+/m0/s1
• InChIKey: MQTYUDIIAAMWTB-MJXNMMHHSA-N
• XLogP: 1.40
• TPSA: 112.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.95
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(3-chlorophenyl)piperazine-2-carboxamide?

The IUPAC name of (2R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(3-chlorophenyl)piperazine-2-carboxamide (CID 172549809) is (2R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(3-chlorophenyl)piperazine-2-carboxamide.

What is the SMILES notation for (2R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(3-chlorophenyl)piperazine-2-carboxamide?

The canonical SMILES for (2R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(3-chlorophenyl)piperazine-2-carboxamide is C[C@H](NC(=O)[C@H]1CN(c2cccc(Cl)c2)CCN1)C(=O)N[C@@H]1CCc2nc(N)ccc21.

What is the InChIKey of (2R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(3-chlorophenyl)piperazine-2-carboxamide?

The InChIKey is MQTYUDIIAAMWTB-MJXNMMHHSA-N. The full InChI is InChI=1S/C22H27ClN6O2/c1-13(21(30)28-18-7-6-17-16(18)5-8-20(24)27-17)26-22(31)19-12-29(10-9-25-19)15-4-2-3-14(23)11-15/h2-5,8,11,13,18-19,25H,6-7,9-10,12H2,1H3,(H2,24,27)(H,26,31)(H,28,30)/t13-,18+,19+/m0/s1.

What are the key properties of (2R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(3-chlorophenyl)piperazine-2-carboxamide?

(2R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(3-chlorophenyl)piperazine-2-carboxamide has a molecular weight of 442.95 g/mol, XLogP of 1.40, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2S)-1-[[(5R)-2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]amino]-1-oxopropan-2-yl]-4-(3-chlorophenyl)piperazine-2-carboxamide is sourced from PubChem (CID 172549809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).