N-[[3-[[(E)-3-methylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide

C19H21N3O2 — CID 108926559

IUPACN-[[3-[[(E)-3-methylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCC/C(C)=C/C(=O)Nc1cccc(CNC(=O)c2cccnc2)c1
InChIInChI=1S/C19H21N3O2/c1-3-14(2)10-18(23)22-17-8-4-6-15(11-17)12-21-19(24)16-7-5-9-20-13-16/h4-11,13H,3,12H2,1-2H3,(H,21,24)(H,22,23)/b14-10+
InChIKeyZLBLZVSBTLUNGW-GXDHUFHOSA-N
MW323.40 g/mol
LogP3.31
Rot. Bonds6

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

N-[[3-[[(E)-3-methylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108926559) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[[3-[[(E)-3-methylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[[(E)-3-methylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108926559
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[[3-[[(E)-3-methylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
SMILESCC/C(C)=C/C(=O)Nc1cccc(CNC(=O)c2cccnc2)c1
InChIInChI=1S/C19H21N3O2/c1-3-14(2)10-18(23)22-17-8-4-6-15(11-17)12-21-19(24)16-7-5-9-20-13-16/h4-11,13H,3,12H2,1-2H3,(H,21,24)(H,22,23)/b14-10+
InChIKeyZLBLZVSBTLUNGW-GXDHUFHOSA-N
XLogP3.31
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
N-[[3-[(2-cyclohexylideneacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926549
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926513
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926398
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106065
ethyl [4-[[3-[(pyridine-3-carbonylamino)methyl]phenyl]carbamoyl]phenyl] carbonate
CID 108926226
N-[[3-[4-(2,6-dimethylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108926336
N-[[3-[(2,3,4-trifluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926408
N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926500

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(E)-3-methylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[3-[[(E)-3-methylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide (CID 108926559) is N-[[3-[[(E)-3-methylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-[[(E)-3-methylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-[[(E)-3-methylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide is CC/C(C)=C/C(=O)Nc1cccc(CNC(=O)c2cccnc2)c1.
What is the InChIKey of N-[[3-[[(E)-3-methylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is ZLBLZVSBTLUNGW-GXDHUFHOSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-14(2)10-18(23)22-17-8-4-6-15(11-17)12-21-19(24)16-7-5-9-20-13-16/h4-11,13H,3,12H2,1-2H3,(H,21,24)(H,22,23)/b14-10+.
What are the key properties of N-[[3-[[(E)-3-methylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide?
N-[[3-[[(E)-3-methylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[(E)-3-methylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).