N-[(E)-2-(4-chloro-2-methylphenyl)pent-2-enyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide

C31H30ClN3O2 — CID 144881429

IUPACN-[(E)-2-(4-chloro-2-methylphenyl)pent-2-enyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESCC/C=C(/CNC(=O)c1cncc(Cc2ccc(Cn3ccccc3=O)cc2)c1)c1ccc(Cl)cc1C
InChIInChI=1S/C31H30ClN3O2/c1-3-6-26(29-13-12-28(32)15-22(29)2)20-34-31(37)27-17-25(18-33-19-27)16-23-8-10-24(11-9-23)21-35-14-5-4-7-30(35)36/h4-15,17-19H,3,16,20-21H2,1-2H3,(H,34,37)/b26-6-
InChIKeyWGXRWBDPDPTDKN-RROVHIOVSA-N
MW512.05 g/mol
LogP6.07
Rot. Bonds9

About N-[(E)-2-(4-chloro-2-methylphenyl)pent-2-enyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide

N-[(E)-2-(4-chloro-2-methylphenyl)pent-2-enyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 144881429) has the molecular formula C31H30ClN3O2 and a molecular weight of 512.05 g/mol. Its IUPAC name is N-[(E)-2-(4-chloro-2-methylphenyl)pent-2-enyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-(4-chloro-2-methylphenyl)pent-2-enyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
PubChem CID144881429
Molecular FormulaC31H30ClN3O2
Molecular Weight512.05 g/mol
Exact Mass511.20
IUPAC NameN-[(E)-2-(4-chloro-2-methylphenyl)pent-2-enyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESCC/C=C(/CNC(=O)c1cncc(Cc2ccc(Cn3ccccc3=O)cc2)c1)c1ccc(Cl)cc1C
InChIInChI=1S/C31H30ClN3O2/c1-3-6-26(29-13-12-28(32)15-22(29)2)20-34-31(37)27-17-25(18-33-19-27)16-23-8-10-24(11-9-23)21-35-14-5-4-7-30(35)36/h4-15,17-19H,3,16,20-21H2,1-2H3,(H,34,37)/b26-6-
InChIKeyWGXRWBDPDPTDKN-RROVHIOVSA-N
XLogP6.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.05
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118213060
ethane;methane;5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 144881175
N-[(3-chloro-1H-indol-6-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118213156
N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118212944
methyl 2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate
CID 175301664
tert-butyl N-[[4-[[1-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]ethenylamino]methyl]phenyl]methyl]carbamate
CID 118220509
1-[[4-[[5-[4-(5-chloro-2H-indazol-3-yl)-2,3-dimethylbutanoyl]-3-pyridinyl]methyl]phenyl]methyl]pyridin-2-one
CID 123606457
CID 144880972
CID 144880972
N-[[5-chloro-1-(oxan-2-yl)indazol-3-yl]methyl]-5-[[3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118212386
1-[[2,5-dichloro-4-[[5-(2-ethylcyclopropanecarbonyl)-3-pyridinyl]methyl]phenyl]methyl]pyridin-2-one
CID 144881340
N-[(6-chloronaphthalen-2-yl)methyl]-5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118212256
methyl 2-[[2-(2-amino-5-chlorophenyl)-2-iminoacetyl]amino]-2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate
CID 144880761

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(4-chloro-2-methylphenyl)pent-2-enyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-2-(4-chloro-2-methylphenyl)pent-2-enyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide (CID 144881429) is N-[(E)-2-(4-chloro-2-methylphenyl)pent-2-enyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-2-(4-chloro-2-methylphenyl)pent-2-enyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-2-(4-chloro-2-methylphenyl)pent-2-enyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide is CC/C=C(/CNC(=O)c1cncc(Cc2ccc(Cn3ccccc3=O)cc2)c1)c1ccc(Cl)cc1C.
What is the InChIKey of N-[(E)-2-(4-chloro-2-methylphenyl)pent-2-enyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is WGXRWBDPDPTDKN-RROVHIOVSA-N. The full InChI is InChI=1S/C31H30ClN3O2/c1-3-6-26(29-13-12-28(32)15-22(29)2)20-34-31(37)27-17-25(18-33-19-27)16-23-8-10-24(11-9-23)21-35-14-5-4-7-30(35)36/h4-15,17-19H,3,16,20-21H2,1-2H3,(H,34,37)/b26-6-.
What are the key properties of N-[(E)-2-(4-chloro-2-methylphenyl)pent-2-enyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide?
N-[(E)-2-(4-chloro-2-methylphenyl)pent-2-enyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 512.05 g/mol, XLogP of 6.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(4-chloro-2-methylphenyl)pent-2-enyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 144881429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).