N-(3-amino-4-methylpentyl)-N,6-dimethyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C18H28N4O2 — CID 119659207

IUPACN-(3-amino-4-methylpentyl)-N,6-dimethyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)CCC(N)C(C)C)c2c(C(C)C)noc2n1
InChIInChI=1S/C18H28N4O2/c1-10(2)14(19)7-8-22(6)18(23)13-9-12(5)20-17-15(13)16(11(3)4)21-24-17/h9-11,14H,7-8,19H2,1-6H3
InChIKeyZMBBKCITUSGMND-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.10
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N,6-dimethyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(3-amino-4-methylpentyl)-N,6-dimethyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 119659207) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N,6-dimethyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N,6-dimethyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID119659207
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-(3-amino-4-methylpentyl)-N,6-dimethyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)CCC(N)C(C)C)c2c(C(C)C)noc2n1
InChIInChI=1S/C18H28N4O2/c1-10(2)14(19)7-8-22(6)18(23)13-9-12(5)20-17-15(13)16(11(3)4)21-24-17/h9-11,14H,7-8,19H2,1-6H3
InChIKeyZMBBKCITUSGMND-UHFFFAOYSA-N
XLogP3.10
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-amino-4-methylpentyl)-N,6-dimethyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminobutyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119497068
N-(3-amino-4-methylpentyl)-N-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 119659056
N,3,6-trimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 72925748
N-(3-amino-4-methylpentyl)-2-bromo-N,5-dimethylbenzamide
CID 115317454
(2S)-4-methyl-2-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]pentanoic acid
CID 119362063
N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927
N-(3-amino-4-methylpentyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide
CID 119660589
N-(3-amino-4-methylpentyl)-N,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 119659284
2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 119657379
N-(3-amino-4-methylpentyl)-5-(5-chlorothiophen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide
CID 119657908
N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
CID 107705211
N-(6-amino-1,3-benzodioxol-5-yl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119618472

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N,6-dimethyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N,6-dimethyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 119659207) is N-(3-amino-4-methylpentyl)-N,6-dimethyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N,6-dimethyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N,6-dimethyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N(C)CCC(N)C(C)C)c2c(C(C)C)noc2n1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N,6-dimethyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZMBBKCITUSGMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-10(2)14(19)7-8-22(6)18(23)13-9-12(5)20-17-15(13)16(11(3)4)21-24-17/h9-11,14H,7-8,19H2,1-6H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N,6-dimethyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(3-amino-4-methylpentyl)-N,6-dimethyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N,6-dimethyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119659207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).