N-[[3-(tert-butylcarbamoyl)phenyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C19H23N3O3 — CID 75375617

IUPACN-[[3-(tert-butylcarbamoyl)phenyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2cccc(C(=O)NC(C)(C)C)c2)c[nH]1
InChIInChI=1S/C19H23N3O3/c1-12-8-16(23)15(11-20-12)18(25)21-10-13-6-5-7-14(9-13)17(24)22-19(2,3)4/h5-9,11H,10H2,1-4H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyJCODMDZXAKWDMC-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.14
Rot. Bonds4

About N-[[3-(tert-butylcarbamoyl)phenyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-[[3-(tert-butylcarbamoyl)phenyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 75375617) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[[3-(tert-butylcarbamoyl)phenyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(tert-butylcarbamoyl)phenyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID75375617
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[[3-(tert-butylcarbamoyl)phenyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2cccc(C(=O)NC(C)(C)C)c2)c[nH]1
InChIInChI=1S/C19H23N3O3/c1-12-8-16(23)15(11-20-12)18(25)21-10-13-6-5-7-14(9-13)17(24)22-19(2,3)4/h5-9,11H,10H2,1-4H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyJCODMDZXAKWDMC-UHFFFAOYSA-N
XLogP2.14
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103722339
N-[3-(ethylaminomethyl)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119438297
N-tert-butyl-3-[[[N-[(3-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111251723
N-tert-butyl-3-[[[N-[(2-ethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111635996
N-[2-(ethylamino)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103806326
(2S)-2-amino-3-[3-(tert-butylcarbamoyl)phenyl]propanoic acid
CID 139521017
3-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]benzoic acid
CID 82808720
N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103804777
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 56862846
N-tert-butyl-3-[[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111248862
N-(2-hydroxy-2-methylpentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103718353
N-tert-butyl-3-[[[N-[(2-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111174855

Frequently Asked Questions

What is the IUPAC name of N-[[3-(tert-butylcarbamoyl)phenyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[3-(tert-butylcarbamoyl)phenyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 75375617) is N-[[3-(tert-butylcarbamoyl)phenyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(tert-butylcarbamoyl)phenyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[3-(tert-butylcarbamoyl)phenyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCc2cccc(C(=O)NC(C)(C)C)c2)c[nH]1.
What is the InChIKey of N-[[3-(tert-butylcarbamoyl)phenyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is JCODMDZXAKWDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12-8-16(23)15(11-20-12)18(25)21-10-13-6-5-7-14(9-13)17(24)22-19(2,3)4/h5-9,11H,10H2,1-4H3,(H,20,23)(H,21,25)(H,22,24).
What are the key properties of N-[[3-(tert-butylcarbamoyl)phenyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-[[3-(tert-butylcarbamoyl)phenyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(tert-butylcarbamoyl)phenyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 75375617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).