N-[[2-(4-fluoro-3-methylphenyl)-4-pyridinyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide

C21H23FN4O — CID 56943997

IUPACN-[[2-(4-fluoro-3-methylphenyl)-4-pyridinyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide
SMILESCc1cc(-c2cc(CN(C(=O)c3cn(C)cn3)C(C)C)ccn2)ccc1F
InChIInChI=1S/C21H23FN4O/c1-14(2)26(21(27)20-12-25(4)13-24-20)11-16-7-8-23-19(10-16)17-5-6-18(22)15(3)9-17/h5-10,12-14H,11H2,1-4H3
InChIKeyQKPPACKSAMPACQ-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.98
Rot. Bonds5

About N-[[2-(4-fluoro-3-methylphenyl)-4-pyridinyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide

N-[[2-(4-fluoro-3-methylphenyl)-4-pyridinyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide (PubChem CID 56943997) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[[2-(4-fluoro-3-methylphenyl)-4-pyridinyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-fluoro-3-methylphenyl)-4-pyridinyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide
PubChem CID56943997
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC NameN-[[2-(4-fluoro-3-methylphenyl)-4-pyridinyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide
SMILESCc1cc(-c2cc(CN(C(=O)c3cn(C)cn3)C(C)C)ccn2)ccc1F
InChIInChI=1S/C21H23FN4O/c1-14(2)26(21(27)20-12-25(4)13-24-20)11-16-7-8-23-19(10-16)17-5-6-18(22)15(3)9-17/h5-10,12-14H,11H2,1-4H3
InChIKeyQKPPACKSAMPACQ-UHFFFAOYSA-N
XLogP3.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluoro-3-methylphenyl)-4-pyridinyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide?
The IUPAC name of N-[[2-(4-fluoro-3-methylphenyl)-4-pyridinyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide (CID 56943997) is N-[[2-(4-fluoro-3-methylphenyl)-4-pyridinyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide.
What is the SMILES notation for N-[[2-(4-fluoro-3-methylphenyl)-4-pyridinyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide?
The canonical SMILES for N-[[2-(4-fluoro-3-methylphenyl)-4-pyridinyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide is Cc1cc(-c2cc(CN(C(=O)c3cn(C)cn3)C(C)C)ccn2)ccc1F.
What is the InChIKey of N-[[2-(4-fluoro-3-methylphenyl)-4-pyridinyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide?
The InChIKey is QKPPACKSAMPACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-14(2)26(21(27)20-12-25(4)13-24-20)11-16-7-8-23-19(10-16)17-5-6-18(22)15(3)9-17/h5-10,12-14H,11H2,1-4H3.
What are the key properties of N-[[2-(4-fluoro-3-methylphenyl)-4-pyridinyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide?
N-[[2-(4-fluoro-3-methylphenyl)-4-pyridinyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluoro-3-methylphenyl)-4-pyridinyl]methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide is sourced from PubChem (CID 56943997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).