N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide

C23H21N3O3 — CID 108926177

IUPACN-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C23H21N3O3/c1-29-20-11-8-17(9-12-20)10-13-22(27)26-21-7-3-2-5-18(21)16-25-23(28)19-6-4-14-24-15-19/h2-15H,16H2,1H3,(H,25,28)(H,26,27)/b13-10+
InChIKeyNAQHULMTYPHRPV-JLHYYAGUSA-N
MW387.44 g/mol
LogP3.67
Rot. Bonds7

About N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide

N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108926177) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108926177
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C23H21N3O3/c1-29-20-11-8-17(9-12-20)10-13-22(27)26-21-7-3-2-5-18(21)16-25-23(28)19-6-4-14-24-15-19/h2-15H,16H2,1H3,(H,25,28)(H,26,27)/b13-10+
InChIKeyNAQHULMTYPHRPV-JLHYYAGUSA-N
XLogP3.67
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925861
2-cyano-N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]acetamide
CID 108923793
N-[[2-[[(E)-3,4-dimethylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926215
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
N-[[2-[(3,4-dimethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925835
tert-butyl N-[2-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108918228
N-[[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926513
N-[2-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926052
N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926051
N-[[2-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925977
N-[[2-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926017
N-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926105

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide (CID 108926177) is N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide is COc1ccc(/C=C/C(=O)Nc2ccccc2CNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is NAQHULMTYPHRPV-JLHYYAGUSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-29-20-11-8-17(9-12-20)10-13-22(27)26-21-7-3-2-5-18(21)16-25-23(28)19-6-4-14-24-15-19/h2-15H,16H2,1H3,(H,25,28)(H,26,27)/b13-10+.
What are the key properties of N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide?
N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).