N-(3-aminopropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride

C14H21ClN4O2 — CID 119406041

IUPACN-(3-aminopropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
SMILESCc1noc2nc(C(C)C)cc(C(=O)NCCCN)c12.Cl
InChIInChI=1S/C14H20N4O2.ClH/c1-8(2)11-7-10(13(19)16-6-4-5-15)12-9(3)18-20-14(12)17-11;/h7-8H,4-6,15H2,1-3H3,(H,16,19);1H
InChIKeyPWTFUGUTGKFSLF-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.16
Rot. Bonds5

About N-(3-aminopropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride

N-(3-aminopropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride (PubChem CID 119406041) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
PubChem CID119406041
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC NameN-(3-aminopropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
SMILESCc1noc2nc(C(C)C)cc(C(=O)NCCCN)c12.Cl
InChIInChI=1S/C14H20N4O2.ClH/c1-8(2)11-7-10(13(19)16-6-4-5-15)12-9(3)18-20-14(12)17-11;/h7-8H,4-6,15H2,1-3H3,(H,16,19);1H
InChIKeyPWTFUGUTGKFSLF-UHFFFAOYSA-N
XLogP2.16
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride 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-(2-amino-2-methylpropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119627163
N-[2-(4-aminophenyl)ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119548126
N-[3-[2-methoxyethyl(methyl)amino]propyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78865541
N-(1-amino-4-methylpentan-2-yl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119586431
N-(1-aminopropan-2-yl)-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119582443
3-methyl-N-(2-oxo-2-piperidin-1-ylethyl)-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78899618
3-methyl-6-propan-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78831688
3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 9391694
benzyl 2-[(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetate
CID 78830434
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51717084
3-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78853386
N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112817342

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride (CID 119406041) is N-(3-aminopropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride is Cc1noc2nc(C(C)C)cc(C(=O)NCCCN)c12.Cl.
What is the InChIKey of N-(3-aminopropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
The InChIKey is PWTFUGUTGKFSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2.ClH/c1-8(2)11-7-10(13(19)16-6-4-5-15)12-9(3)18-20-14(12)17-11;/h7-8H,4-6,15H2,1-3H3,(H,16,19);1H.
What are the key properties of N-(3-aminopropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
N-(3-aminopropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119406041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).