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

C27H25FN4O — CID 44524053

IUPACN-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-phenylpyridine-3-carboxamide
SMILESO=C(c1cncc(-c2ccccc2)c1)N(Cc1cncn1Cc1ccccc1F)CC1CC1
InChIInChI=1S/C27H25FN4O/c28-26-9-5-4-8-22(26)17-32-19-30-15-25(32)18-31(16-20-10-11-20)27(33)24-12-23(13-29-14-24)21-6-2-1-3-7-21/h1-9,12-15,19-20H,10-11,16-18H2
InChIKeyNCFPFLYIDHLJTM-UHFFFAOYSA-N
MW440.52 g/mol
LogP5.18
Rot. Bonds8

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

N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-phenylpyridine-3-carboxamide (PubChem CID 44524053) has the molecular formula C27H25FN4O and a molecular weight of 440.52 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-phenylpyridine-3-carboxamide
PubChem CID44524053
Molecular FormulaC27H25FN4O
Molecular Weight440.52 g/mol
Exact Mass440.20
IUPAC NameN-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-phenylpyridine-3-carboxamide
SMILESO=C(c1cncc(-c2ccccc2)c1)N(Cc1cncn1Cc1ccccc1F)CC1CC1
InChIInChI=1S/C27H25FN4O/c28-26-9-5-4-8-22(26)17-32-19-30-15-25(32)18-31(16-20-10-11-20)27(33)24-12-23(13-29-14-24)21-6-2-1-3-7-21/h1-9,12-15,19-20H,10-11,16-18H2
InChIKeyNCFPFLYIDHLJTM-UHFFFAOYSA-N
XLogP5.18
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.52
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 44524052
5-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole
CID 18670887
N-ethyl-N-(2-hydroxyethyl)-5-phenylpyridine-3-carboxamide
CID 109468089
N-(cyclopropylmethyl)-N-[[2-[(2-fluorophenyl)methylsulfonyl]-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]benzamide
CID 42824466
N-(cyclopropylmethyl)-2-[4-(tetrazol-1-yl)phenyl]-N-[[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]acetamide
CID 44524050
N-(cyclopropylmethyl)-N-[[5-(2-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]benzamide
CID 46139741
N-(cyclopropylmethyl)-N-[[5-[(2-fluorophenyl)methyl]-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]cyclopropanecarboxamide
CID 42801982
N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66146500
2-[cyclopropylmethyl-(5-hydroxypyridine-3-carbonyl)amino]acetic acid
CID 63850971
N-(cyclopropylmethyl)-N-[[2-[(2-fluorophenyl)methylsulfonyl]-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-4-(trifluoromethyl)benzamide
CID 42824465
5-(3-aminophenyl)-N,N-diethylpyridine-3-carboxamide
CID 10355739
N-[(3-ethylimidazol-4-yl)methyl]-N-[(2-fluorophenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43818482

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-phenylpyridine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-phenylpyridine-3-carboxamide (CID 44524053) is N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-phenylpyridine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-phenylpyridine-3-carboxamide is O=C(c1cncc(-c2ccccc2)c1)N(Cc1cncn1Cc1ccccc1F)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-phenylpyridine-3-carboxamide?
The InChIKey is NCFPFLYIDHLJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O/c28-26-9-5-4-8-22(26)17-32-19-30-15-25(32)18-31(16-20-10-11-20)27(33)24-12-23(13-29-14-24)21-6-2-1-3-7-21/h1-9,12-15,19-20H,10-11,16-18H2.
What are the key properties of N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-phenylpyridine-3-carboxamide?
N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-phenylpyridine-3-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-5-phenylpyridine-3-carboxamide is sourced from PubChem (CID 44524053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).