N-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide

C17H20ClN3O — CID 109225232

IUPACN-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C17H20ClN3O/c1-4-12(3)20-17(22)13-7-15(10-19-9-13)21-14-6-5-11(2)16(18)8-14/h5-10,12,21H,4H2,1-3H3,(H,20,22)
InChIKeyDFNYATLNEJDRGF-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.32
Rot. Bonds5

About N-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide

N-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide (PubChem CID 109225232) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
PubChem CID109225232
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C17H20ClN3O/c1-4-12(3)20-17(22)13-7-15(10-19-9-13)21-14-6-5-11(2)16(18)8-14/h5-10,12,21H,4H2,1-3H3,(H,20,22)
InChIKeyDFNYATLNEJDRGF-UHFFFAOYSA-N
XLogP4.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide
CID 109225291
N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109225219
N-butan-2-yl-5-(4-cyanoanilino)pyridine-3-carboxamide
CID 109225300
N-(3-acetamidophenyl)-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
CID 109244893
5-(3,4-dichloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232865
5-(2-bromo-4-methylanilino)-N-butan-2-ylpyridine-3-carboxamide
CID 109225275
N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide
CID 109225186
5-(3-chloro-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231384
N-butan-2-yl-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109225189
N-butan-2-yl-5-[4-(4-methylpiperidin-1-yl)anilino]pyridine-3-carboxamide
CID 109225266
[5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225614
N-butan-2-yl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109225134

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide (CID 109225232) is N-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide is CCC(C)NC(=O)c1cncc(Nc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of N-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide?
The InChIKey is DFNYATLNEJDRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-4-12(3)20-17(22)13-7-15(10-19-9-13)21-14-6-5-11(2)16(18)8-14/h5-10,12,21H,4H2,1-3H3,(H,20,22).
What are the key properties of N-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide?
N-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide has a molecular weight of 317.82 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109225232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).