2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-ethyl-6-piperazin-1-ylpyridine-4-carboxamide

C21H28N8O — CID 143907938

IUPAC2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-ethyl-6-piperazin-1-ylpyridine-4-carboxamide
SMILESCCNC(=O)c1cc(-c2ccnc(/N=C(N)/C=C\NC)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C21H28N8O/c1-3-25-21(30)16-12-17(27-20(14-16)29-10-8-24-9-11-29)15-4-7-26-19(13-15)28-18(22)5-6-23-2/h4-7,12-14,23-24H,3,8-11H2,1-2H3,(H,25,30)(H2,22,26,28)/b6-5-
InChIKeyAZXHBVCPHPWBMN-WAYWQWQTSA-N
MW408.51 g/mol
LogP1.02
Rot. Bonds7

About 2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-ethyl-6-piperazin-1-ylpyridine-4-carboxamide

2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-ethyl-6-piperazin-1-ylpyridine-4-carboxamide (PubChem CID 143907938) has the molecular formula C21H28N8O and a molecular weight of 408.51 g/mol. Its IUPAC name is 2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-ethyl-6-piperazin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-ethyl-6-piperazin-1-ylpyridine-4-carboxamide
PubChem CID143907938
Molecular FormulaC21H28N8O
Molecular Weight408.51 g/mol
Exact Mass408.24
IUPAC Name2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-ethyl-6-piperazin-1-ylpyridine-4-carboxamide
SMILESCCNC(=O)c1cc(-c2ccnc(/N=C(N)/C=C\NC)c2)nc(N2CCNCC2)c1
InChIInChI=1S/C21H28N8O/c1-3-25-21(30)16-12-17(27-20(14-16)29-10-8-24-9-11-29)15-4-7-26-19(13-15)28-18(22)5-6-23-2/h4-7,12-14,23-24H,3,8-11H2,1-2H3,(H,25,30)(H2,22,26,28)/b6-5-
InChIKeyAZXHBVCPHPWBMN-WAYWQWQTSA-N
XLogP1.02
TPSA120.56 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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-anilino-4-pyridinyl)-N-methyl-6-piperazin-1-ylpyridine-4-carboxamide
CID 67083741
2-piperazin-1-yl-6-[2-(piperidin-4-ylamino)-4-pyridinyl]pyridine-4-carboxylic acid
CID 142786606
2-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxylic acid
CID 142786616
N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 155586911
2-(3,3-dimethylpiperazin-1-yl)-6-[2-(hexan-3-ylamino)-4-pyridinyl]pyridine-4-carboxamide
CID 143907886
4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
CID 66201616
4-[6-[2-(cyclohexylamino)-4-pyridinyl]-4-(hydrazinecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 67083794
2,4-diphenyl-6-(2-piperazin-1-yl-4-pyridinyl)pyrimidine
CID 171686343
2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide
CID 141154526
4-[4-(aminomethyl)-6-piperazin-1-yl-2-pyridinyl]-N-cyclohexylpyridin-2-amine
CID 67088547
4-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
CID 84583882

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-ethyl-6-piperazin-1-ylpyridine-4-carboxamide?
The IUPAC name of 2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-ethyl-6-piperazin-1-ylpyridine-4-carboxamide (CID 143907938) is 2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-ethyl-6-piperazin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-ethyl-6-piperazin-1-ylpyridine-4-carboxamide?
The canonical SMILES for 2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-ethyl-6-piperazin-1-ylpyridine-4-carboxamide is CCNC(=O)c1cc(-c2ccnc(/N=C(N)/C=C\NC)c2)nc(N2CCNCC2)c1.
What is the InChIKey of 2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-ethyl-6-piperazin-1-ylpyridine-4-carboxamide?
The InChIKey is AZXHBVCPHPWBMN-WAYWQWQTSA-N. The full InChI is InChI=1S/C21H28N8O/c1-3-25-21(30)16-12-17(27-20(14-16)29-10-8-24-9-11-29)15-4-7-26-19(13-15)28-18(22)5-6-23-2/h4-7,12-14,23-24H,3,8-11H2,1-2H3,(H,25,30)(H2,22,26,28)/b6-5-.
What are the key properties of 2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-ethyl-6-piperazin-1-ylpyridine-4-carboxamide?
2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-ethyl-6-piperazin-1-ylpyridine-4-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 1.02, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(Z)-1-amino-3-(methylamino)prop-2-enylidene]amino]-4-pyridinyl]-N-ethyl-6-piperazin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 143907938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).