3-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide

C16H19N3O2 — CID 105069782

IUPAC3-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide
SMILESCCC(C)Oc1cccc(NC(=O)c2ccncc2N)c1
InChIInChI=1S/C16H19N3O2/c1-3-11(2)21-13-6-4-5-12(9-13)19-16(20)14-7-8-18-10-15(14)17/h4-11H,3,17H2,1-2H3,(H,19,20)
InChIKeyNXQUMUXZQPLLEJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.09
Rot. Bonds5

About 3-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide

3-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide (PubChem CID 105069782) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide
PubChem CID105069782
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide
SMILESCCC(C)Oc1cccc(NC(=O)c2ccncc2N)c1
InChIInChI=1S/C16H19N3O2/c1-3-11(2)21-13-6-4-5-12(9-13)19-16(20)14-7-8-18-10-15(14)17/h4-11H,3,17H2,1-2H3,(H,19,20)
InChIKeyNXQUMUXZQPLLEJ-UHFFFAOYSA-N
XLogP3.09
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide
CID 62328427
3-amino-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 23633068
3-amino-N-(3-butan-2-yloxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 62329109
3-amino-N-(3-butan-2-yloxyphenyl)propanamide
CID 62327879
methyl 4-[(3-butan-2-yloxyphenyl)carbamoyl]benzoate
CID 17178329
3-amino-N-(3-butan-2-yloxyphenyl)-3-sulfanylidenepropanamide
CID 62329104
(2R)-2-amino-N-(3-butan-2-yloxyphenyl)-3-methylbutanamide
CID 79013272
methyl 3-[(3-butan-2-yloxyphenyl)carbamoyl]benzoate
CID 17175369
N-(3-butan-2-yloxyphenyl)butanamide
CID 61394703
3-butan-2-yloxy-N-(3-methylphenyl)benzamide
CID 17149681
2-amino-N-(3-butan-2-yloxyphenyl)pentanamide
CID 55059966
1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea
CID 47392478

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 3-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide (CID 105069782) is 3-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide is CCC(C)Oc1cccc(NC(=O)c2ccncc2N)c1.
What is the InChIKey of 3-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide?
The InChIKey is NXQUMUXZQPLLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-11(2)21-13-6-4-5-12(9-13)19-16(20)14-7-8-18-10-15(14)17/h4-11H,3,17H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide?
3-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 105069782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).