(2S,4S)-4-amino-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide

C18H26N4O3 — CID 56722535

IUPAC(2S,4S)-4-amino-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCOc1nc2c(cc1C(=O)N1C[C@@H](N)C[C@H]1C(=O)NC(C)C)CCC2
InChIInChI=1S/C18H26N4O3/c1-10(2)20-16(23)15-8-12(19)9-22(15)18(24)13-7-11-5-4-6-14(11)21-17(13)25-3/h7,10,12,15H,4-6,8-9,19H2,1-3H3,(H,20,23)/t12-,15-/m0/s1
InChIKeyRRSKSRJLFAAUGC-WFASDCNBSA-N
MW346.43 g/mol
LogP0.65
Rot. Bonds4

About (2S,4S)-4-amino-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide

(2S,4S)-4-amino-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 56722535) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID56722535
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(2S,4S)-4-amino-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCOc1nc2c(cc1C(=O)N1C[C@@H](N)C[C@H]1C(=O)NC(C)C)CCC2
InChIInChI=1S/C18H26N4O3/c1-10(2)20-16(23)15-8-12(19)9-22(15)18(24)13-7-11-5-4-6-14(11)21-17(13)25-3/h7,10,12,15H,4-6,8-9,19H2,1-3H3,(H,20,23)/t12-,15-/m0/s1
InChIKeyRRSKSRJLFAAUGC-WFASDCNBSA-N
XLogP0.65
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide (CID 56722535) is (2S,4S)-4-amino-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide is COc1nc2c(cc1C(=O)N1C[C@@H](N)C[C@H]1C(=O)NC(C)C)CCC2.
What is the InChIKey of (2S,4S)-4-amino-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is RRSKSRJLFAAUGC-WFASDCNBSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-10(2)20-16(23)15-8-12(19)9-22(15)18(24)13-7-11-5-4-6-14(11)21-17(13)25-3/h7,10,12,15H,4-6,8-9,19H2,1-3H3,(H,20,23)/t12-,15-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56722535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).