N-(3-amino-4-pyridinyl)-2,4-dimethylbenzamide

C14H15N3O — CID 63062252

IUPACN-(3-amino-4-pyridinyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccncc2N)c(C)c1
InChIInChI=1S/C14H15N3O/c1-9-3-4-11(10(2)7-9)14(18)17-13-5-6-16-8-12(13)15/h3-8H,15H2,1-2H3,(H,16,17,18)
InChIKeyWXWNDSHQFAKNOI-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.53
Rot. Bonds2

About N-(3-amino-4-pyridinyl)-2,4-dimethylbenzamide

N-(3-amino-4-pyridinyl)-2,4-dimethylbenzamide (PubChem CID 63062252) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-2,4-dimethylbenzamide
PubChem CID63062252
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(3-amino-4-pyridinyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccncc2N)c(C)c1
InChIInChI=1S/C14H15N3O/c1-9-3-4-11(10(2)7-9)14(18)17-13-5-6-16-8-12(13)15/h3-8H,15H2,1-2H3,(H,16,17,18)
InChIKeyWXWNDSHQFAKNOI-UHFFFAOYSA-N
XLogP2.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 105068439
N-(3-amino-4-pyridinyl)-4-bromo-2-methoxybenzamide
CID 115368565
N-(3-amino-4-pyridinyl)-4-tert-butylbenzamide
CID 63063621
N-(3-amino-4-pyridinyl)-2-iodobenzamide
CID 63061561
N-(3-amino-4-pyridinyl)-2-chloro-5-hydroxybenzamide
CID 106500113
N-(2-amino-4,5-dimethylphenyl)-3-hydroxypyridine-4-carboxamide
CID 81446459
N-(3-amino-4-pyridinyl)-3,4-difluorobenzamide
CID 63061741
N-(4-amino-2,5-dimethylphenyl)-3-hydroxypyridine-4-carboxamide
CID 103144448
N-(3-amino-4-pyridinyl)-4-ethylbenzamide
CID 63062261
N-(3-amino-4-pyridinyl)-5-methylthiophene-2-carboxamide
CID 63062085
N-(2-bromo-4-methylphenyl)-4-hydrazinylpyridine-3-carboxamide
CID 81255971
5-amino-N-(3-fluoro-4-pyridinyl)-2-methylbenzamide
CID 107594566

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-2,4-dimethylbenzamide (CID 63062252) is N-(3-amino-4-pyridinyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccncc2N)c(C)c1.
What is the InChIKey of N-(3-amino-4-pyridinyl)-2,4-dimethylbenzamide?
The InChIKey is WXWNDSHQFAKNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-3-4-11(10(2)7-9)14(18)17-13-5-6-16-8-12(13)15/h3-8H,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-(3-amino-4-pyridinyl)-2,4-dimethylbenzamide?
N-(3-amino-4-pyridinyl)-2,4-dimethylbenzamide has a molecular weight of 241.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 63062252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).