6-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C19H24N4O3 — CID 94112279

IUPAC6-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCc1noc2nc(C3CC3)cc(C(=O)N[C@H]3CCCCNC3=O)c12
InChIInChI=1S/C19H24N4O3/c1-2-5-13-16-12(10-15(11-7-8-11)22-19(16)26-23-13)17(24)21-14-6-3-4-9-20-18(14)25/h10-11,14H,2-9H2,1H3,(H,20,25)(H,21,24)/t14-/m0/s1
InChIKeyZMVXRJFPAPSMPJ-AWEZNQCLSA-N
MW356.43 g/mol
LogP2.45
Rot. Bonds5

About 6-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 94112279) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID94112279
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name6-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCc1noc2nc(C3CC3)cc(C(=O)N[C@H]3CCCCNC3=O)c12
InChIInChI=1S/C19H24N4O3/c1-2-5-13-16-12(10-15(11-7-8-11)22-19(16)26-23-13)17(24)21-14-6-3-4-9-20-18(14)25/h10-11,14H,2-9H2,1H3,(H,20,25)(H,21,24)/t14-/m0/s1
InChIKeyZMVXRJFPAPSMPJ-AWEZNQCLSA-N
XLogP2.45
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119611474
N-[2-(aminomethyl)cyclopentyl]-6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119603784
6-cyclopropyl-3-propyl-N-(pyrrolidin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119513187
6-cyclopropyl-N-(3-methylpiperidin-4-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 120553846
2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 119348501
(3R)-4-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-3-propan-2-ylpiperazin-2-one
CID 99816574
(2R)-2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119368132
4-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 119357130
6-cyclopropyl-N-[2-(methanesulfonamido)ethyl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86812538
N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119607900
2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]acetic acid
CID 119346057
[2-(aminomethyl)piperidin-1-yl]-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 119468617

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 94112279) is 6-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCCc1noc2nc(C3CC3)cc(C(=O)N[C@H]3CCCCNC3=O)c12.
What is the InChIKey of 6-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZMVXRJFPAPSMPJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-2-5-13-16-12(10-15(11-7-8-11)22-19(16)26-23-13)17(24)21-14-6-3-4-9-20-18(14)25/h10-11,14H,2-9H2,1H3,(H,20,25)(H,21,24)/t14-/m0/s1.
What are the key properties of 6-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 94112279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).