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

C19H21N3O2 — CID 108925424

IUPACN-[2-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide
SMILESCC(C)(C)/C=C/C(=O)Nc1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C19H21N3O2/c1-19(2,3)11-10-17(23)21-15-8-4-5-9-16(15)22-18(24)14-7-6-12-20-13-14/h4-13H,1-3H3,(H,21,23)(H,22,24)/b11-10+
InChIKeyWZYHIHCLHIJDCF-ZHACJKMWSA-N
MW323.40 g/mol
LogP3.87
Rot. Bonds4

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

N-[2-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 108925424) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide
PubChem CID108925424
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[2-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide
SMILESCC(C)(C)/C=C/C(=O)Nc1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C19H21N3O2/c1-19(2,3)11-10-17(23)21-15-8-4-5-9-16(15)22-18(24)14-7-6-12-20-13-14/h4-13H,1-3H3,(H,21,23)(H,22,24)/b11-10+
InChIKeyWZYHIHCLHIJDCF-ZHACJKMWSA-N
XLogP3.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.87
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-[2-[[(E)-3,4,4-trimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925434
N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 1244993
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
N-[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925408
N-[2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925411
N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-2-carboxamide
CID 108925361
N-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide
CID 171501184
N-[2-(3-methoxypropanoylamino)phenyl]pyridine-3-carboxamide
CID 108925343
N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
N-[2-[(Z)-oxidoiminomethyl]phenyl]pyridine-3-carboxamide
CID 21204174
N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108925269
3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid
CID 107272327

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide (CID 108925424) is N-[2-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide is CC(C)(C)/C=C/C(=O)Nc1ccccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[2-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
The InChIKey is WZYHIHCLHIJDCF-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-19(2,3)11-10-17(23)21-15-8-4-5-9-16(15)22-18(24)14-7-6-12-20-13-14/h4-13H,1-3H3,(H,21,23)(H,22,24)/b11-10+.
What are the key properties of N-[2-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
N-[2-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-4,4-dimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).