N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-N-(3-methylbutyl)-5-phenylpyridine-3-carboxamide

C28H29FN4O — CID 44524062

IUPACN-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-N-(3-methylbutyl)-5-phenylpyridine-3-carboxamide
SMILESCC(C)CCN(Cc1cncn1Cc1ccccc1F)C(=O)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C28H29FN4O/c1-21(2)12-13-32(19-26-17-31-20-33(26)18-23-10-6-7-11-27(23)29)28(34)25-14-24(15-30-16-25)22-8-4-3-5-9-22/h3-11,14-17,20-21H,12-13,18-19H2,1-2H3
InChIKeyGTXBYXIRFAVFAG-UHFFFAOYSA-N
MW456.57 g/mol
LogP5.82
Rot. Bonds9

About N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-N-(3-methylbutyl)-5-phenylpyridine-3-carboxamide

N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-N-(3-methylbutyl)-5-phenylpyridine-3-carboxamide (PubChem CID 44524062) has the molecular formula C28H29FN4O and a molecular weight of 456.57 g/mol. Its IUPAC name is N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-N-(3-methylbutyl)-5-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-N-(3-methylbutyl)-5-phenylpyridine-3-carboxamide
PubChem CID44524062
Molecular FormulaC28H29FN4O
Molecular Weight456.57 g/mol
Exact Mass456.23
IUPAC NameN-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-N-(3-methylbutyl)-5-phenylpyridine-3-carboxamide
SMILESCC(C)CCN(Cc1cncn1Cc1ccccc1F)C(=O)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C28H29FN4O/c1-21(2)12-13-32(19-26-17-31-20-33(26)18-23-10-6-7-11-27(23)29)28(34)25-14-24(15-30-16-25)22-8-4-3-5-9-22/h3-11,14-17,20-21H,12-13,18-19H2,1-2H3
InChIKeyGTXBYXIRFAVFAG-UHFFFAOYSA-N
XLogP5.82
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.57
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-N-(3-methylbutyl)-5-phenylpyridine-3-carboxamide with MolForge

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Related Compounds

Olorofim
CID 91885568
2-(Difluoromethyl)-5-{[(2-Methylpropanoyl)amino]methyl}-N-{5-Methyl-4-[4-(Trifluoromethyl)phenyl]-1h-Imidazol-2-Yl}pyridine-3-Carboxamide
CID 71059525
KF 18280
CID 3071941
[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
CID 3243760
2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)-N-methylbenzamide
CID 11675054
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CID 748028
(2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo(1,2-a)Pyridin-3-Yl)-Phenyl-Methanone
CID 5289179
N-(4-(((3S)-3-(dimethylamino)pyrrolidin-1-yl)carbonyl)phenyl)-5-fluoro-4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 16113377
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-ethyl-5-phenyl-
CID 3071939
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-methyl-5-phenyl-
CID 3071959
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-5-phenyl-3-propyl-
CID 3071969
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-(2-methylpropyl)-5-phenyl-
CID 3071971

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-N-(3-methylbutyl)-5-phenylpyridine-3-carboxamide?
The IUPAC name of N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-N-(3-methylbutyl)-5-phenylpyridine-3-carboxamide (CID 44524062) is N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-N-(3-methylbutyl)-5-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-N-(3-methylbutyl)-5-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-N-(3-methylbutyl)-5-phenylpyridine-3-carboxamide is CC(C)CCN(Cc1cncn1Cc1ccccc1F)C(=O)c1cncc(-c2ccccc2)c1.
What is the InChIKey of N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-N-(3-methylbutyl)-5-phenylpyridine-3-carboxamide?
The InChIKey is GTXBYXIRFAVFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O/c1-21(2)12-13-32(19-26-17-31-20-33(26)18-23-10-6-7-11-27(23)29)28(34)25-14-24(15-30-16-25)22-8-4-3-5-9-22/h3-11,14-17,20-21H,12-13,18-19H2,1-2H3.
What are the key properties of N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-N-(3-methylbutyl)-5-phenylpyridine-3-carboxamide?
N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-N-(3-methylbutyl)-5-phenylpyridine-3-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 5.82, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-N-(3-methylbutyl)-5-phenylpyridine-3-carboxamide is sourced from PubChem (CID 44524062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).