4-[cyclopentyl(methyl)amino]-6-[4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide

C21H27N5O2 — CID 56970219

IUPAC4-[cyclopentyl(methyl)amino]-6-[4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(Nc2cc(N(C)C3CCCC3)c(C(N)=O)cn2)cc1
InChIInChI=1S/C21H27N5O2/c1-25(2)21(28)14-8-10-15(11-9-14)24-19-12-18(17(13-23-19)20(22)27)26(3)16-6-4-5-7-16/h8-13,16H,4-7H2,1-3H3,(H2,22,27)(H,23,24)
InChIKeyLJBBUCJBOPRGBT-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.00
Rot. Bonds6

About 4-[cyclopentyl(methyl)amino]-6-[4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide

4-[cyclopentyl(methyl)amino]-6-[4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide (PubChem CID 56970219) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[cyclopentyl(methyl)amino]-6-[4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[cyclopentyl(methyl)amino]-6-[4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide
PubChem CID56970219
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name4-[cyclopentyl(methyl)amino]-6-[4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(Nc2cc(N(C)C3CCCC3)c(C(N)=O)cn2)cc1
InChIInChI=1S/C21H27N5O2/c1-25(2)21(28)14-8-10-15(11-9-14)24-19-12-18(17(13-23-19)20(22)27)26(3)16-6-4-5-7-16/h8-13,16H,4-7H2,1-3H3,(H2,22,27)(H,23,24)
InChIKeyLJBBUCJBOPRGBT-UHFFFAOYSA-N
XLogP3.00
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(dimethylcarbamoyl)anilino]-4-[[(1R)-1-phenylethyl]amino]pyridine-3-carboxamide
CID 118673045
6-[[(1R,2R)-2-aminocyclohexyl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 102738868
4-amino-N-[4-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide
CID 11154269
2-[cyclopentyl(methyl)amino]pyridine-3-carboxamide
CID 67508458
N,N-dimethyl-6-[(4-propan-2-ylcycloheptyl)amino]pyridine-3-carboxamide
CID 133479815
4-(N-cyclopropylanilino)-6-[4-(4,4-difluoropiperidin-1-yl)anilino]pyridine-3-carboxamide
CID 67509104
6-[4-(oxan-4-yl)anilino]-4-[piperidin-4-yl(propanoyl)amino]pyridine-3-carboxamide
CID 67509649
2-(3-acetamidoanilino)-4-[cyclobutyl(methyl)amino]pyrimidine-5-carboxamide
CID 66841709
4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
CID 67501907
2-amino-5-[cyclopentyl(methyl)amino]benzamide
CID 61307306
N,N-dimethyl-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)benzamide
CID 24650274
6-[cyclopentyl(methyl)amino]pyridine-3-carbothioamide
CID 43267331

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(methyl)amino]-6-[4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide?
The IUPAC name of 4-[cyclopentyl(methyl)amino]-6-[4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide (CID 56970219) is 4-[cyclopentyl(methyl)amino]-6-[4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[cyclopentyl(methyl)amino]-6-[4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for 4-[cyclopentyl(methyl)amino]-6-[4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide is CN(C)C(=O)c1ccc(Nc2cc(N(C)C3CCCC3)c(C(N)=O)cn2)cc1.
What is the InChIKey of 4-[cyclopentyl(methyl)amino]-6-[4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide?
The InChIKey is LJBBUCJBOPRGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-25(2)21(28)14-8-10-15(11-9-14)24-19-12-18(17(13-23-19)20(22)27)26(3)16-6-4-5-7-16/h8-13,16H,4-7H2,1-3H3,(H2,22,27)(H,23,24).
What are the key properties of 4-[cyclopentyl(methyl)amino]-6-[4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide?
4-[cyclopentyl(methyl)amino]-6-[4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(methyl)amino]-6-[4-(dimethylcarbamoyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 56970219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).