5-[3-[methyl-[4-(methylamino)-4-oxobutan-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide

C19H22N4O3 — CID 119061866

IUPAC5-[3-[methyl-[4-(methylamino)-4-oxobutan-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCNC(=O)CC(C)N(C)C(=O)c1cccc(-c2cncc(C(N)=O)c2)c1
InChIInChI=1S/C19H22N4O3/c1-12(7-17(24)21-2)23(3)19(26)14-6-4-5-13(8-14)15-9-16(18(20)25)11-22-10-15/h4-6,8-12H,7H2,1-3H3,(H2,20,25)(H,21,24)
InChIKeyDNDJFOGSPYBQPT-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.44
Rot. Bonds6

About 5-[3-[methyl-[4-(methylamino)-4-oxobutan-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide

5-[3-[methyl-[4-(methylamino)-4-oxobutan-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 119061866) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-[3-[methyl-[4-(methylamino)-4-oxobutan-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-[methyl-[4-(methylamino)-4-oxobutan-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID119061866
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name5-[3-[methyl-[4-(methylamino)-4-oxobutan-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCNC(=O)CC(C)N(C)C(=O)c1cccc(-c2cncc(C(N)=O)c2)c1
InChIInChI=1S/C19H22N4O3/c1-12(7-17(24)21-2)23(3)19(26)14-6-4-5-13(8-14)15-9-16(18(20)25)11-22-10-15/h4-6,8-12H,7H2,1-3H3,(H2,20,25)(H,21,24)
InChIKeyDNDJFOGSPYBQPT-UHFFFAOYSA-N
XLogP1.44
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-amino-3-pyridinyl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide
CID 126446674
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]benzamide
CID 95872964
3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 119584009
3-[[3-(1H-imidazol-5-yl)phenyl]carbamoyl-methylamino]-N-methylbutanamide
CID 118774173
5-(3-fluorophenyl)pyridine-3-carboxamide
CID 71303502
4-(4-aminopyrimidin-2-yl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide
CID 125436967
5-[3-(2-methylphenyl)phenyl]pyridine-3-carboxamide
CID 142945914
5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224075
1-ethyl-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]indole-5-carboxamide
CID 95548821
5-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 68844060
5-(3-aminophenyl)-N,N-diethylpyridine-3-carboxamide
CID 10355739
5-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 30877174

Frequently Asked Questions

What is the IUPAC name of 5-[3-[methyl-[4-(methylamino)-4-oxobutan-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-[3-[methyl-[4-(methylamino)-4-oxobutan-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide (CID 119061866) is 5-[3-[methyl-[4-(methylamino)-4-oxobutan-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-[methyl-[4-(methylamino)-4-oxobutan-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[3-[methyl-[4-(methylamino)-4-oxobutan-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide is CNC(=O)CC(C)N(C)C(=O)c1cccc(-c2cncc(C(N)=O)c2)c1.
What is the InChIKey of 5-[3-[methyl-[4-(methylamino)-4-oxobutan-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is DNDJFOGSPYBQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12(7-17(24)21-2)23(3)19(26)14-6-4-5-13(8-14)15-9-16(18(20)25)11-22-10-15/h4-6,8-12H,7H2,1-3H3,(H2,20,25)(H,21,24).
What are the key properties of 5-[3-[methyl-[4-(methylamino)-4-oxobutan-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide?
5-[3-[methyl-[4-(methylamino)-4-oxobutan-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[methyl-[4-(methylamino)-4-oxobutan-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 119061866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).