N-(3-amino-4-pyridinyl)-2,4-dimethoxy-N-methylbenzamide

C15H17N3O3 — CID 61359400

IUPACN-(3-amino-4-pyridinyl)-2,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)c2ccncc2N)c(OC)c1
InChIInChI=1S/C15H17N3O3/c1-18(13-6-7-17-9-12(13)16)15(19)11-5-4-10(20-2)8-14(11)21-3/h4-9H,16H2,1-3H3
InChIKeyJWVQXVHDDCABBI-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.96
Rot. Bonds4

About N-(3-amino-4-pyridinyl)-2,4-dimethoxy-N-methylbenzamide

N-(3-amino-4-pyridinyl)-2,4-dimethoxy-N-methylbenzamide (PubChem CID 61359400) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-2,4-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-2,4-dimethoxy-N-methylbenzamide
PubChem CID61359400
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-(3-amino-4-pyridinyl)-2,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)c2ccncc2N)c(OC)c1
InChIInChI=1S/C15H17N3O3/c1-18(13-6-7-17-9-12(13)16)15(19)11-5-4-10(20-2)8-14(11)21-3/h4-9H,16H2,1-3H3
InChIKeyJWVQXVHDDCABBI-UHFFFAOYSA-N
XLogP1.96
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-4-pyridinyl)-3-methoxy-N-methylpyridine-4-carboxamide
CID 105063003
N-(3-amino-4-pyridinyl)-N,2,5-trimethylfuran-3-carboxamide
CID 61358427
N-(3-amino-4-pyridinyl)-3-chloro-N-methylpyridine-4-carboxamide
CID 66462789
N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide
CID 61360177
N-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide
CID 65306033
N-(3-amino-4-pyridinyl)-5-bromo-2-hydroxy-N-methylbenzamide
CID 107729224
N-(3-amino-4-pyridinyl)-N,3,5-trimethylbenzamide
CID 61359205
1-(3-amino-4-pyridinyl)-1-methylurea
CID 61357275
N-(3-amino-4-pyridinyl)-3,5-dibromo-N-methylbenzamide
CID 107971013
N-(3-amino-4-pyridinyl)-3,4-dichloro-N-methylbenzamide
CID 61358233
4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 81235643
N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide
CID 112701391

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-2,4-dimethoxy-N-methylbenzamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-2,4-dimethoxy-N-methylbenzamide (CID 61359400) is N-(3-amino-4-pyridinyl)-2,4-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-2,4-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-2,4-dimethoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)c2ccncc2N)c(OC)c1.
What is the InChIKey of N-(3-amino-4-pyridinyl)-2,4-dimethoxy-N-methylbenzamide?
The InChIKey is JWVQXVHDDCABBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18(13-6-7-17-9-12(13)16)15(19)11-5-4-10(20-2)8-14(11)21-3/h4-9H,16H2,1-3H3.
What are the key properties of N-(3-amino-4-pyridinyl)-2,4-dimethoxy-N-methylbenzamide?
N-(3-amino-4-pyridinyl)-2,4-dimethoxy-N-methylbenzamide has a molecular weight of 287.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-2,4-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 61359400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).