N-cyclohexyl-4-[4-[1-[[(E)-2-methyl-5-(methylamino)-1-oxopent-2-en-3-yl]amino]ethenyl]-2-pyridinyl]benzamide

C27H34N4O2 — CID 142916838

IUPACN-cyclohexyl-4-[4-[1-[[(E)-2-methyl-5-(methylamino)-1-oxopent-2-en-3-yl]amino]ethenyl]-2-pyridinyl]benzamide
SMILESC=C(N/C(CCNC)=C(\C)C=O)c1ccnc(-c2ccc(C(=O)NC3CCCCC3)cc2)c1
InChIInChI=1S/C27H34N4O2/c1-19(18-32)25(14-15-28-3)30-20(2)23-13-16-29-26(17-23)21-9-11-22(12-10-21)27(33)31-24-7-5-4-6-8-24/h9-13,16-18,24,28,30H,2,4-8,14-15H2,1,3H3,(H,31,33)/b25-19+
InChIKeyOECTZNRRTAFBHM-NCELDCMTSA-N
MW446.60 g/mol
LogP4.45
Rot. Bonds10

About N-cyclohexyl-4-[4-[1-[[(E)-2-methyl-5-(methylamino)-1-oxopent-2-en-3-yl]amino]ethenyl]-2-pyridinyl]benzamide

N-cyclohexyl-4-[4-[1-[[(E)-2-methyl-5-(methylamino)-1-oxopent-2-en-3-yl]amino]ethenyl]-2-pyridinyl]benzamide (PubChem CID 142916838) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-cyclohexyl-4-[4-[1-[[(E)-2-methyl-5-(methylamino)-1-oxopent-2-en-3-yl]amino]ethenyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[4-[1-[[(E)-2-methyl-5-(methylamino)-1-oxopent-2-en-3-yl]amino]ethenyl]-2-pyridinyl]benzamide
PubChem CID142916838
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC NameN-cyclohexyl-4-[4-[1-[[(E)-2-methyl-5-(methylamino)-1-oxopent-2-en-3-yl]amino]ethenyl]-2-pyridinyl]benzamide
SMILESC=C(N/C(CCNC)=C(\C)C=O)c1ccnc(-c2ccc(C(=O)NC3CCCCC3)cc2)c1
InChIInChI=1S/C27H34N4O2/c1-19(18-32)25(14-15-28-3)30-20(2)23-13-16-29-26(17-23)21-9-11-22(12-10-21)27(33)31-24-7-5-4-6-8-24/h9-13,16-18,24,28,30H,2,4-8,14-15H2,1,3H3,(H,31,33)/b25-19+
InChIKeyOECTZNRRTAFBHM-NCELDCMTSA-N
XLogP4.45
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-4-(4-methyl-2-pyridinyl)benzamide
CID 59672894
N-cyclopentyl-4-[4-(1,1-difluoroethyl)-2-pyridinyl]benzamide
CID 143032281
4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide
CID 167003948
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-cyclohexylpyridine-4-carboxamide
CID 3436730
N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119747154
N-cyclohexyl-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 4162047
2-cyano-N-cyclohexylpyridine-4-carboxamide
CID 90349653
N-cycloheptyl-2,3-dimethylquinoxaline-6-carboxamide
CID 4253490
2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 117088266
N-cyclopentylpyridine-4-carboxamide
CID 4212000
N-cyclohexyl-4-(2H-tetrazol-5-yl)benzamide
CID 23541044

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[4-[1-[[(E)-2-methyl-5-(methylamino)-1-oxopent-2-en-3-yl]amino]ethenyl]-2-pyridinyl]benzamide?
The IUPAC name of N-cyclohexyl-4-[4-[1-[[(E)-2-methyl-5-(methylamino)-1-oxopent-2-en-3-yl]amino]ethenyl]-2-pyridinyl]benzamide (CID 142916838) is N-cyclohexyl-4-[4-[1-[[(E)-2-methyl-5-(methylamino)-1-oxopent-2-en-3-yl]amino]ethenyl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[4-[1-[[(E)-2-methyl-5-(methylamino)-1-oxopent-2-en-3-yl]amino]ethenyl]-2-pyridinyl]benzamide?
The canonical SMILES for N-cyclohexyl-4-[4-[1-[[(E)-2-methyl-5-(methylamino)-1-oxopent-2-en-3-yl]amino]ethenyl]-2-pyridinyl]benzamide is C=C(N/C(CCNC)=C(\C)C=O)c1ccnc(-c2ccc(C(=O)NC3CCCCC3)cc2)c1.
What is the InChIKey of N-cyclohexyl-4-[4-[1-[[(E)-2-methyl-5-(methylamino)-1-oxopent-2-en-3-yl]amino]ethenyl]-2-pyridinyl]benzamide?
The InChIKey is OECTZNRRTAFBHM-NCELDCMTSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-19(18-32)25(14-15-28-3)30-20(2)23-13-16-29-26(17-23)21-9-11-22(12-10-21)27(33)31-24-7-5-4-6-8-24/h9-13,16-18,24,28,30H,2,4-8,14-15H2,1,3H3,(H,31,33)/b25-19+.
What are the key properties of N-cyclohexyl-4-[4-[1-[[(E)-2-methyl-5-(methylamino)-1-oxopent-2-en-3-yl]amino]ethenyl]-2-pyridinyl]benzamide?
N-cyclohexyl-4-[4-[1-[[(E)-2-methyl-5-(methylamino)-1-oxopent-2-en-3-yl]amino]ethenyl]-2-pyridinyl]benzamide has a molecular weight of 446.60 g/mol, XLogP of 4.45, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[4-[1-[[(E)-2-methyl-5-(methylamino)-1-oxopent-2-en-3-yl]amino]ethenyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 142916838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).