N-[4-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamoylamino]-2-methoxyphenyl]pyridine-3-carboxamide

C23H28N6O3 — CID 51118182

IUPACN-[4-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)NC(Cn2ccnc2)C(C)(C)C)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C23H28N6O3/c1-23(2,3)20(14-29-11-10-25-15-29)28-22(31)26-17-7-8-18(19(12-17)32-4)27-21(30)16-6-5-9-24-13-16/h5-13,15,20H,14H2,1-4H3,(H,27,30)(H2,26,28,31)
InChIKeyWFNYHOTWPYANGP-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.78
Rot. Bonds7

About N-[4-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamoylamino]-2-methoxyphenyl]pyridine-3-carboxamide

N-[4-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamoylamino]-2-methoxyphenyl]pyridine-3-carboxamide (PubChem CID 51118182) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[4-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamoylamino]-2-methoxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
PubChem CID51118182
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC NameN-[4-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)NC(Cn2ccnc2)C(C)(C)C)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C23H28N6O3/c1-23(2,3)20(14-29-11-10-25-15-29)28-22(31)26-17-7-8-18(19(12-17)32-4)27-21(30)16-6-5-9-24-13-16/h5-13,15,20H,14H2,1-4H3,(H,27,30)(H2,26,28,31)
InChIKeyWFNYHOTWPYANGP-UHFFFAOYSA-N
XLogP3.78
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(4-methoxyphenyl)urea
CID 93233544
1-(4-acetylphenyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea
CID 72941380
N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 119845805
1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(2-methoxy-5-nitrophenyl)urea
CID 94102406
N-[2-methoxy-4-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119845814
N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide
CID 38661659
N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(3-methoxy-2-pyridinyl)benzamide
CID 126425068
1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-(1H-indazol-5-yl)urea
CID 97282072
N-[2-methoxy-4-[(4-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 33492536
1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
CID 94102393
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]urea
CID 125167700

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamoylamino]-2-methoxyphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamoylamino]-2-methoxyphenyl]pyridine-3-carboxamide (CID 51118182) is N-[4-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamoylamino]-2-methoxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamoylamino]-2-methoxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamoylamino]-2-methoxyphenyl]pyridine-3-carboxamide is COc1cc(NC(=O)NC(Cn2ccnc2)C(C)(C)C)ccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[4-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamoylamino]-2-methoxyphenyl]pyridine-3-carboxamide?
The InChIKey is WFNYHOTWPYANGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-23(2,3)20(14-29-11-10-25-15-29)28-22(31)26-17-7-8-18(19(12-17)32-4)27-21(30)16-6-5-9-24-13-16/h5-13,15,20H,14H2,1-4H3,(H,27,30)(H2,26,28,31).
What are the key properties of N-[4-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamoylamino]-2-methoxyphenyl]pyridine-3-carboxamide?
N-[4-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamoylamino]-2-methoxyphenyl]pyridine-3-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamoylamino]-2-methoxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 51118182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).