6-[4-[cyclopropanecarbonyl(methyl)amino]anilino]-N-cyclopropylpyridine-3-carboxamide

C20H22N4O2 — CID 166293579

IUPAC6-[4-[cyclopropanecarbonyl(methyl)amino]anilino]-N-cyclopropylpyridine-3-carboxamide
SMILESCN(C(=O)C1CC1)c1ccc(Nc2ccc(C(=O)NC3CC3)cn2)cc1
InChIInChI=1S/C20H22N4O2/c1-24(20(26)13-2-3-13)17-9-7-15(8-10-17)22-18-11-4-14(12-21-18)19(25)23-16-5-6-16/h4,7-13,16H,2-3,5-6H2,1H3,(H,21,22)(H,23,25)
InChIKeyGDXOCUVAPYLANV-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.09
Rot. Bonds6

About 6-[4-[cyclopropanecarbonyl(methyl)amino]anilino]-N-cyclopropylpyridine-3-carboxamide

6-[4-[cyclopropanecarbonyl(methyl)amino]anilino]-N-cyclopropylpyridine-3-carboxamide (PubChem CID 166293579) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-[4-[cyclopropanecarbonyl(methyl)amino]anilino]-N-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[cyclopropanecarbonyl(methyl)amino]anilino]-N-cyclopropylpyridine-3-carboxamide
PubChem CID166293579
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name6-[4-[cyclopropanecarbonyl(methyl)amino]anilino]-N-cyclopropylpyridine-3-carboxamide
SMILESCN(C(=O)C1CC1)c1ccc(Nc2ccc(C(=O)NC3CC3)cn2)cc1
InChIInChI=1S/C20H22N4O2/c1-24(20(26)13-2-3-13)17-9-7-15(8-10-17)22-18-11-4-14(12-21-18)19(25)23-16-5-6-16/h4,7-13,16H,2-3,5-6H2,1H3,(H,21,22)(H,23,25)
InChIKeyGDXOCUVAPYLANV-UHFFFAOYSA-N
XLogP3.09
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-6-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109152499
N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 5049567
6-(cyclohexylamino)-N-cyclopropylpyridine-3-carboxamide
CID 25473351
6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159396
4-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 60809997
N-cyclopropyl-2-[4-(diethylamino)anilino]pyrimidine-5-carboxamide
CID 109247409
6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide
CID 109161071
6-(3-bromoanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152271
N-cyclohexyl-5-[4-(dimethylamino)anilino]pyrazine-2-carboxamide
CID 109274776
6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153070
N-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109159362
N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 1447829

Frequently Asked Questions

What is the IUPAC name of 6-[4-[cyclopropanecarbonyl(methyl)amino]anilino]-N-cyclopropylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[cyclopropanecarbonyl(methyl)amino]anilino]-N-cyclopropylpyridine-3-carboxamide (CID 166293579) is 6-[4-[cyclopropanecarbonyl(methyl)amino]anilino]-N-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[cyclopropanecarbonyl(methyl)amino]anilino]-N-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[cyclopropanecarbonyl(methyl)amino]anilino]-N-cyclopropylpyridine-3-carboxamide is CN(C(=O)C1CC1)c1ccc(Nc2ccc(C(=O)NC3CC3)cn2)cc1.
What is the InChIKey of 6-[4-[cyclopropanecarbonyl(methyl)amino]anilino]-N-cyclopropylpyridine-3-carboxamide?
The InChIKey is GDXOCUVAPYLANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-24(20(26)13-2-3-13)17-9-7-15(8-10-17)22-18-11-4-14(12-21-18)19(25)23-16-5-6-16/h4,7-13,16H,2-3,5-6H2,1H3,(H,21,22)(H,23,25).
What are the key properties of 6-[4-[cyclopropanecarbonyl(methyl)amino]anilino]-N-cyclopropylpyridine-3-carboxamide?
6-[4-[cyclopropanecarbonyl(methyl)amino]anilino]-N-cyclopropylpyridine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[cyclopropanecarbonyl(methyl)amino]anilino]-N-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 166293579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).