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

C23H26N6O2 — CID 175445972

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

(2R)-N-[1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(3-cyanophenyl)pyrrolidine-2-carboxamide (PubChem CID 175445972) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is (2R)-N-[1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(3-cyanophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(3-cyanophenyl)pyrrolidine-2-carboxamide
• PubChem CID: 175445972
• Molecular Formula: C23H26N6O2
• Molecular Weight: 418.50 g/mol
• Exact Mass: 418.21
• IUPAC Name: (2R)-N-[1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(3-cyanophenyl)pyrrolidine-2-carboxamide
• SMILES: CC(NC(=O)[C@H]1CC(c2cccc(C#N)c2)CN1)C(=O)NC1CCc2nc(N)ccc21
• InChI: InChI=1S/C23H26N6O2/c1-13(22(30)29-19-7-6-18-17(19)5-8-21(25)28-18)27-23(31)20-10-16(12-26-20)15-4-2-3-14(9-15)11-24/h2-5,8-9,13,16,19-20,26H,6-7,10,12H2,1H3,(H2,25,28)(H,27,31)(H,29,30)/t13?,16?,19?,20-/m1/s1
• InChIKey: KMSNANSVUNVFTM-NJAGXJHESA-N
• XLogP: 1.29
• TPSA: 132.93 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	418.50
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2R)-N-[1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(3-cyanophenyl)pyrrolidine-2-carboxamide (CID 175445972) is (2R)-N-[1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(3-cyanophenyl)pyrrolidine-2-carboxamide.

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

The canonical SMILES for (2R)-N-[1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(3-cyanophenyl)pyrrolidine-2-carboxamide is CC(NC(=O)[C@H]1CC(c2cccc(C#N)c2)CN1)C(=O)NC1CCc2nc(N)ccc21.

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

The InChIKey is KMSNANSVUNVFTM-NJAGXJHESA-N. The full InChI is InChI=1S/C23H26N6O2/c1-13(22(30)29-19-7-6-18-17(19)5-8-21(25)28-18)27-23(31)20-10-16(12-26-20)15-4-2-3-14(9-15)11-24/h2-5,8-9,13,16,19-20,26H,6-7,10,12H2,1H3,(H2,25,28)(H,27,31)(H,29,30)/t13?,16?,19?,20-/m1/s1.

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

(2R)-N-[1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(3-cyanophenyl)pyrrolidine-2-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 1.29, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[1-[(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)amino]-1-oxopropan-2-yl]-4-(3-cyanophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 175445972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).