N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(propylamino)pyridine-4-carboxamide

C13H20N4O2 — CID 55047201

IUPACN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NC(C)(C)C(N)=O)ccn1
InChIInChI=1S/C13H20N4O2/c1-4-6-15-10-8-9(5-7-16-10)11(18)17-13(2,3)12(14)19/h5,7-8H,4,6H2,1-3H3,(H2,14,19)(H,15,16)(H,17,18)
InChIKeyPGVHPMAILOVISE-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.90
Rot. Bonds6

About N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(propylamino)pyridine-4-carboxamide

N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(propylamino)pyridine-4-carboxamide (PubChem CID 55047201) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(propylamino)pyridine-4-carboxamide
PubChem CID55047201
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NC(C)(C)C(N)=O)ccn1
InChIInChI=1S/C13H20N4O2/c1-4-6-15-10-8-9(5-7-16-10)11(18)17-13(2,3)12(14)19/h5,7-8H,4,6H2,1-3H3,(H2,14,19)(H,15,16)(H,17,18)
InChIKeyPGVHPMAILOVISE-UHFFFAOYSA-N
XLogP0.90
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62170975
N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 62179912
N-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide
CID 55046885
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pyridine-4-carboxamide
CID 62184832
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chloropyridine-4-carboxamide
CID 61217075
N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methyl-4-(propylamino)benzamide
CID 63213686
N-[2-(dimethylamino)-2-methylpropyl]-2-(propylamino)pyridine-4-carboxamide
CID 62177285
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)pyridine-4-carboxamide
CID 106098402
N-[2-(diethylamino)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62173284
N-(2,6-dimethylphenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62165900
N-(2-methylbutyl)-2-(propylamino)pyridine-4-carboxamide
CID 62694218

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(propylamino)pyridine-4-carboxamide (CID 55047201) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)NC(C)(C)C(N)=O)ccn1.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is PGVHPMAILOVISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-6-15-10-8-9(5-7-16-10)11(18)17-13(2,3)12(14)19/h5,7-8H,4,6H2,1-3H3,(H2,14,19)(H,15,16)(H,17,18).
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(propylamino)pyridine-4-carboxamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 55047201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).