N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(propylamino)pyridine-3-carboxamide

C14H22N4O2 — CID 106098462

IUPACN-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C14H22N4O2/c1-4-6-17-11-5-7-16-9-10(11)13(20)18-14(2,3)8-12(15)19/h5,7,9H,4,6,8H2,1-3H3,(H2,15,19)(H,16,17)(H,18,20)
InChIKeyJPRZGSONONOINH-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.29
Rot. Bonds7

About N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(propylamino)pyridine-3-carboxamide

N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(propylamino)pyridine-3-carboxamide (PubChem CID 106098462) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(propylamino)pyridine-3-carboxamide
PubChem CID106098462
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C14H22N4O2/c1-4-6-17-11-5-7-16-9-10(11)13(20)18-14(2,3)8-12(15)19/h5,7,9H,4,6,8H2,1-3H3,(H2,15,19)(H,16,17)(H,18,20)
InChIKeyJPRZGSONONOINH-UHFFFAOYSA-N
XLogP1.29
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-hydrazinylpyridine-3-carboxamide
CID 106098486
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(methylamino)pyridine-3-carboxamide
CID 114143178
N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 83115001
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(propylamino)pyridine-3-carboxamide
CID 106280042
N-(4-amino-2-methyl-4-oxobutan-2-yl)-5-chloro-2-(propylamino)benzamide
CID 106098354
4-(propylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide
CID 81244963
N-[3-oxo-3-(propylamino)propyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237252
N-(4,4-dimethylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide
CID 81235124
N-[(3-methyl-4-pyridinyl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 114701819
N-[2-[ethyl(methyl)amino]ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81240941
N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide
CID 81234637
4-(methylamino)-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
CID 81239742

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(propylamino)pyridine-3-carboxamide (CID 106098462) is N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(propylamino)pyridine-3-carboxamide is CCCNc1ccncc1C(=O)NC(C)(C)CC(N)=O.
What is the InChIKey of N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is JPRZGSONONOINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-6-17-11-5-7-16-9-10(11)13(20)18-14(2,3)8-12(15)19/h5,7,9H,4,6,8H2,1-3H3,(H2,15,19)(H,16,17)(H,18,20).
What are the key properties of N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(propylamino)pyridine-3-carboxamide?
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(propylamino)pyridine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 106098462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).