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

C20H23N3O2 — CID 108926215

IUPACN-[[2-[[(E)-3,4-dimethylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
SMILESC/C(=C\C(=O)Nc1ccccc1CNC(=O)c1cccnc1)C(C)C
InChIInChI=1S/C20H23N3O2/c1-14(2)15(3)11-19(24)23-18-9-5-4-7-16(18)13-22-20(25)17-8-6-10-21-12-17/h4-12,14H,13H2,1-3H3,(H,22,25)(H,23,24)/b15-11+
InChIKeyKBNGWNASOFWGEW-RVDMUPIBSA-N
MW337.42 g/mol
LogP3.55
Rot. Bonds6

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

N-[[2-[[(E)-3,4-dimethylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108926215) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[[2-[[(E)-3,4-dimethylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[[(E)-3,4-dimethylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108926215
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[[2-[[(E)-3,4-dimethylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
SMILESC/C(=C\C(=O)Nc1ccccc1CNC(=O)c1cccnc1)C(C)C
InChIInChI=1S/C20H23N3O2/c1-14(2)15(3)11-19(24)23-18-9-5-4-7-16(18)13-22-20(25)17-8-6-10-21-12-17/h4-12,14H,13H2,1-3H3,(H,22,25)(H,23,24)/b15-11+
InChIKeyKBNGWNASOFWGEW-RVDMUPIBSA-N
XLogP3.55
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-[[(E)-3,4-dimethylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
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-[(2,2-diphenylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925855
N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926065
N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926177
N-[[2-[[2-(2-fluorophenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926099
N-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925899
N-[[2-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926017
N-[[2-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925861
N-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926105
N-[2-[[(2-iodobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925872

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[(E)-3,4-dimethylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[2-[[(E)-3,4-dimethylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide (CID 108926215) is N-[[2-[[(E)-3,4-dimethylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-[[(E)-3,4-dimethylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[2-[[(E)-3,4-dimethylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide is C/C(=C\C(=O)Nc1ccccc1CNC(=O)c1cccnc1)C(C)C.
What is the InChIKey of N-[[2-[[(E)-3,4-dimethylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is KBNGWNASOFWGEW-RVDMUPIBSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(2)15(3)11-19(24)23-18-9-5-4-7-16(18)13-22-20(25)17-8-6-10-21-12-17/h4-12,14H,13H2,1-3H3,(H,22,25)(H,23,24)/b15-11+.
What are the key properties of N-[[2-[[(E)-3,4-dimethylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide?
N-[[2-[[(E)-3,4-dimethylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[(E)-3,4-dimethylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).