N-(2-amino-5-methoxyphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C18H18N4O3 — CID 119421734

IUPACN-(2-amino-5-methoxyphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(N)c(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c1
InChIInChI=1S/C18H18N4O3/c1-9-16-12(8-14(10-3-4-10)21-18(16)25-22-9)17(23)20-15-7-11(24-2)5-6-13(15)19/h5-8,10H,3-4,19H2,1-2H3,(H,20,23)
InChIKeyLINWEJOMQKLROE-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.25
Rot. Bonds4

About N-(2-amino-5-methoxyphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(2-amino-5-methoxyphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 119421734) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID119421734
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-(2-amino-5-methoxyphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(N)c(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c1
InChIInChI=1S/C18H18N4O3/c1-9-16-12(8-14(10-3-4-10)21-18(16)25-22-9)17(23)20-15-7-11(24-2)5-6-13(15)19/h5-8,10H,3-4,19H2,1-2H3,(H,20,23)
InChIKeyLINWEJOMQKLROE-UHFFFAOYSA-N
XLogP3.25
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-methoxyphenyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119420959
N-(2-amino-5-methoxyphenyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119421790
6-cyclopropyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51853181
3-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4,5-dimethoxybenzoic acid
CID 119214141
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18132940
6-cyclopropyl-N-[2-(3-methoxyphenoxy)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46423403
N-(3-acetamido-2,4-dimethylphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 56797790
N-(2-amino-5-methoxyphenyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119421161
6-cyclopropyl-3-methyl-N-(3-phenyl-1,2-oxazol-5-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171314992
6-cyclopropyl-3-methyl-N-(2,4,6-trimethyl-3-pyridinyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78859802
6-cyclopropyl-N-[2-(ethylaminomethyl)phenyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119440730
6-cyclopropyl-3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 26038847

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 119421734) is N-(2-amino-5-methoxyphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(N)c(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is LINWEJOMQKLROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-9-16-12(8-14(10-3-4-10)21-18(16)25-22-9)17(23)20-15-7-11(24-2)5-6-13(15)19/h5-8,10H,3-4,19H2,1-2H3,(H,20,23).
What are the key properties of N-(2-amino-5-methoxyphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(2-amino-5-methoxyphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119421734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).