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

C15H22N4O2 — CID 119497068

IUPACN-(3-aminobutyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCC(C)N)c2c(C(C)C)noc2n1
InChIInChI=1S/C15H22N4O2/c1-8(2)13-12-11(14(20)17-6-5-9(3)16)7-10(4)18-15(12)21-19-13/h7-9H,5-6,16H2,1-4H3,(H,17,20)
InChIKeyBFHYRNYPKOPLHD-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.12
Rot. Bonds5

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

N-(3-aminobutyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 119497068) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(3-aminobutyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID119497068
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-(3-aminobutyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCC(C)N)c2c(C(C)C)noc2n1
InChIInChI=1S/C15H22N4O2/c1-8(2)13-12-11(14(20)17-6-5-9(3)16)7-10(4)18-15(12)21-19-13/h7-9H,5-6,16H2,1-4H3,(H,17,20)
InChIKeyBFHYRNYPKOPLHD-UHFFFAOYSA-N
XLogP2.12
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(3-piperazin-1-ylpropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119392497
N-(3-amino-4-methylpentyl)-N,6-dimethyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119659207
(2S)-4-methyl-2-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]pentanoic acid
CID 119362063
6-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119462057
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
6-cyclopropyl-N-(3-hydroxypropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78876018
N-(2-amino-5-methoxyphenyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119421161
3-[3-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]phenyl]propanoic acid
CID 120613979
N-(5-hydroxypentyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 107318381
N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 107261244
N-(2-amino-2-methylpropyl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119627996
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 120566642

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-aminobutyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 119497068) is N-(3-aminobutyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCCC(C)N)c2c(C(C)C)noc2n1.
What is the InChIKey of N-(3-aminobutyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BFHYRNYPKOPLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-8(2)13-12-11(14(20)17-6-5-9(3)16)7-10(4)18-15(12)21-19-13/h7-9H,5-6,16H2,1-4H3,(H,17,20).
What are the key properties of N-(3-aminobutyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(3-aminobutyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119497068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).