N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide

C18H19N5O — CID 58487185

IUPACN-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cn(C)nc3C)c(N)n2)cc1
InChIInChI=1S/C18H19N5O/c1-11-4-6-13(7-5-11)18(24)21-16-9-8-14(17(19)20-16)15-10-23(3)22-12(15)2/h4-10H,1-3H3,(H3,19,20,21,24)
InChIKeyIHAZTYRHUNLGDK-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.93
Rot. Bonds3

About N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide

N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide (PubChem CID 58487185) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide
PubChem CID58487185
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cn(C)nc3C)c(N)n2)cc1
InChIInChI=1S/C18H19N5O/c1-11-4-6-13(7-5-11)18(24)21-16-9-8-14(17(19)20-16)15-10-23(3)22-12(15)2/h4-10H,1-3H3,(H3,19,20,21,24)
InChIKeyIHAZTYRHUNLGDK-UHFFFAOYSA-N
XLogP2.93
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-2-(((S)-2-(4-Cyanophenyl)propyl)amino)-N-(5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl)-2-phenylacetamide
CID 146014965
4-propan-2-yl-N-pyridin-2-ylbenzamide
CID 898760
N-[(6-Amino-2,4-Dimethylpyridin-3-Yl)methyl]-1-({4-[(1h-Pyrazol-1-Yl)methyl]phenyl}methyl)-1h-Pyrazole-4-Carboxamide
CID 58081298
(2R)-2-{[2-(4-cyanophenyl)ethyl]amino}-N-[5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl]-2-phenylacetamide
CID 146014966
N,4-dimethyl-3-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzamide
CID 23400214
1-(4-methylbenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970375
4-Methyl-n-phenyl-3-((3-(4-pyrimidinyl)-2-pyridinyl)amino)benzamide
CID 11617856
B-Raf IN 1
CID 24884503
Pyrrolo-pyrimidone, 12
CID 135524115
4-[4-[3-Bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide
CID 137348547
4-(5-((Pyridin-3-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-3-yl)benzamide
CID 145994823
2-[2-[(1-Methylpyrazol-3-yl)amino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
CID 46901543

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide (CID 58487185) is N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(-c3cn(C)nc3C)c(N)n2)cc1.
What is the InChIKey of N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide?
The InChIKey is IHAZTYRHUNLGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-11-4-6-13(7-5-11)18(24)21-16-9-8-14(17(19)20-16)15-10-23(3)22-12(15)2/h4-10H,1-3H3,(H3,19,20,21,24).
What are the key properties of N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide?
N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide has a molecular weight of 321.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 58487185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).