2-(2-anilino-4-pyridinyl)-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide

C22H24N6O — CID 67083741

IUPAC2-(2-anilino-4-pyridinyl)-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide
SMILESCNC(=O)c1cc(-c2ccnc(Nc3ccccc3)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C22H24N6O/c1-23-22(29)17-13-19(27-21(15-17)28-11-9-24-10-12-28)16-7-8-25-20(14-16)26-18-5-3-2-4-6-18/h2-8,13-15,24H,9-12H2,1H3,(H,23,29)(H,25,26)
InChIKeyCUBRJJXEQDESOW-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.66
Rot. Bonds5

About 2-(2-anilino-4-pyridinyl)-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide

2-(2-anilino-4-pyridinyl)-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide (PubChem CID 67083741) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-(2-anilino-4-pyridinyl)-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-anilino-4-pyridinyl)-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide
PubChem CID67083741
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name2-(2-anilino-4-pyridinyl)-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide
SMILESCNC(=O)c1cc(-c2ccnc(Nc3ccccc3)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C22H24N6O/c1-23-22(29)17-13-19(27-21(15-17)28-11-9-24-10-12-28)16-7-8-25-20(14-16)26-18-5-3-2-4-6-18/h2-8,13-15,24H,9-12H2,1H3,(H,23,29)(H,25,26)
InChIKeyCUBRJJXEQDESOW-UHFFFAOYSA-N
XLogP2.66
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-piperazin-1-yl-6-[2-(piperidin-4-ylamino)-4-pyridinyl]pyridine-4-carboxylic acid
CID 142786606
2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide
CID 143907941
2-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxylic acid
CID 142786616
1-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]-3-phenylurea
CID 67088464
2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine
CID 171686343
2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-ethyl-6-piperazin-1-ylpyridine-4-carboxamide
CID 143907938
2-methylsulfonyl-N-phenyl-6-piperazin-1-ylpyrimidin-4-amine
CID 170533663
N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyridine-3-carboxamide
CID 66836474
1-[4-(4,5-dimethyl-6-piperazin-1-ylpyrimidin-2-yl)-2-pyridinyl]-3-phenylurea
CID 123858033
N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide
CID 10475851
2-[2-(cyclohexylamino)-4-pyridinyl]-6-(3,3-dimethylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 142786617
4-[6-[2-(cyclohexylamino)-4-pyridinyl]-4-(hydrazinecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 67083794

Frequently Asked Questions

What is the IUPAC name of 2-(2-anilino-4-pyridinyl)-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide?
The IUPAC name of 2-(2-anilino-4-pyridinyl)-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide (CID 67083741) is 2-(2-anilino-4-pyridinyl)-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-(2-anilino-4-pyridinyl)-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide?
The canonical SMILES for 2-(2-anilino-4-pyridinyl)-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide is CNC(=O)c1cc(-c2ccnc(Nc3ccccc3)c2)nc(N2CCNCC2)c1.
What is the InChIKey of 2-(2-anilino-4-pyridinyl)-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide?
The InChIKey is CUBRJJXEQDESOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-23-22(29)17-13-19(27-21(15-17)28-11-9-24-10-12-28)16-7-8-25-20(14-16)26-18-5-3-2-4-6-18/h2-8,13-15,24H,9-12H2,1H3,(H,23,29)(H,25,26).
What are the key properties of 2-(2-anilino-4-pyridinyl)-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide?
2-(2-anilino-4-pyridinyl)-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-anilino-4-pyridinyl)-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 67083741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).