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

C20H23N3O2 — CID 108925434

IUPACN-[2-[[(E)-3,4,4-trimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide
SMILESC/C(=C\C(=O)Nc1ccccc1NC(=O)c1cccnc1)C(C)(C)C
InChIInChI=1S/C20H23N3O2/c1-14(20(2,3)4)12-18(24)22-16-9-5-6-10-17(16)23-19(25)15-8-7-11-21-13-15/h5-13H,1-4H3,(H,22,24)(H,23,25)/b14-12+
InChIKeyHPGWOVICGXAWSB-WYMLVPIESA-N
MW337.42 g/mol
LogP4.26
Rot. Bonds4

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

N-[2-[[(E)-3,4,4-trimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 108925434) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-[[(E)-3,4,4-trimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(E)-3,4,4-trimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide
PubChem CID108925434
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[2-[[(E)-3,4,4-trimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide
SMILESC/C(=C\C(=O)Nc1ccccc1NC(=O)c1cccnc1)C(C)(C)C
InChIInChI=1S/C20H23N3O2/c1-14(20(2,3)4)12-18(24)22-16-9-5-6-10-17(16)23-19(25)15-8-7-11-21-13-15/h5-13H,1-4H3,(H,22,24)(H,23,25)/b14-12+
InChIKeyHPGWOVICGXAWSB-WYMLVPIESA-N
XLogP4.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.26
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)-4,4-dimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925424
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-(pyridine-3-carbonylamino)phenyl]pyridine-2-carboxamide
CID 108925361
N-[2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925411
N-[2-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide
CID 171501184
N-[[2-[[(E)-3,4-dimethylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926215
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-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-3,4,4-trimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[(E)-3,4,4-trimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide (CID 108925434) is N-[2-[[(E)-3,4,4-trimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[(E)-3,4,4-trimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[(E)-3,4,4-trimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide is C/C(=C\C(=O)Nc1ccccc1NC(=O)c1cccnc1)C(C)(C)C.
What is the InChIKey of N-[2-[[(E)-3,4,4-trimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
The InChIKey is HPGWOVICGXAWSB-WYMLVPIESA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(20(2,3)4)12-18(24)22-16-9-5-6-10-17(16)23-19(25)15-8-7-11-21-13-15/h5-13H,1-4H3,(H,22,24)(H,23,25)/b14-12+.
What are the key properties of N-[2-[[(E)-3,4,4-trimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide?
N-[2-[[(E)-3,4,4-trimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-3,4,4-trimethylpent-2-enoyl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).