(2S)-3-cyclopropyl-N-[(1S)-1-(methylamino)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)propanamide

C19H26N6O3 — CID 166893297

About (2S)-3-cyclopropyl-N-[(1S)-1-(methylamino)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)propanamide

(2S)-3-cyclopropyl-N-[(1S)-1-(methylamino)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)propanamide (PubChem CID 166893297) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is (2S)-3-cyclopropyl-N-[(1S)-1-(methylamino)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)propanamide.

Molecular Properties

• Compound Name: (2S)-3-cyclopropyl-N-[(1S)-1-(methylamino)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)propanamide
• PubChem CID: 166893297
• Molecular Formula: C19H26N6O3
• Molecular Weight: 386.46 g/mol
• Exact Mass: 386.21
• IUPAC Name: (2S)-3-cyclopropyl-N-[(1S)-1-(methylamino)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)propanamide
• SMILES: CN[C@H](C[C@@H]1CCNC1=O)NC(=O)C(CC1CC1)n1ccc2[nH]cnc2c1=O
• InChI: InChI=1S/C19H26N6O3/c1-20-15(9-12-4-6-21-17(12)26)24-18(27)14(8-11-2-3-11)25-7-5-13-16(19(25)28)23-10-22-13/h5,7,10-12,14-15,20H,2-4,6,8-9H2,1H3,(H,21,26)(H,22,23)(H,24,27)/t12-,14?,15-/m0/s1
• InChIKey: WAYBAKWTDJWJIQ-JDLVMGNASA-N
• XLogP: 0.25
• TPSA: 120.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.46
LogP ≤ 5	0.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopropyl-N-[(1S)-1-(methylamino)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)propanamide?

The IUPAC name of (2S)-3-cyclopropyl-N-[(1S)-1-(methylamino)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)propanamide (CID 166893297) is (2S)-3-cyclopropyl-N-[(1S)-1-(methylamino)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)propanamide.

What is the SMILES notation for (2S)-3-cyclopropyl-N-[(1S)-1-(methylamino)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)propanamide?

The canonical SMILES for (2S)-3-cyclopropyl-N-[(1S)-1-(methylamino)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)propanamide is CN[C@H](C[C@@H]1CCNC1=O)NC(=O)C(CC1CC1)n1ccc2[nH]cnc2c1=O.

What is the InChIKey of (2S)-3-cyclopropyl-N-[(1S)-1-(methylamino)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)propanamide?

The InChIKey is WAYBAKWTDJWJIQ-JDLVMGNASA-N. The full InChI is InChI=1S/C19H26N6O3/c1-20-15(9-12-4-6-21-17(12)26)24-18(27)14(8-11-2-3-11)25-7-5-13-16(19(25)28)23-10-22-13/h5,7,10-12,14-15,20H,2-4,6,8-9H2,1H3,(H,21,26)(H,22,23)(H,24,27)/t12-,14?,15-/m0/s1.

What are the key properties of (2S)-3-cyclopropyl-N-[(1S)-1-(methylamino)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)propanamide?

(2S)-3-cyclopropyl-N-[(1S)-1-(methylamino)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)propanamide has a molecular weight of 386.46 g/mol, XLogP of 0.25, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-3-cyclopropyl-N-[(1S)-1-(methylamino)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-(4-oxo-1H-imidazo[4,5-c]pyridin-5-yl)propanamide is sourced from PubChem (CID 166893297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).