4-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrrole-3-carboxamide

C18H16FN3O2 — CID 71929536

IUPAC4-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrrole-3-carboxamide
SMILESCOc1ncccc1CNC(=O)c1c[nH]cc1-c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O2/c1-24-18-13(3-2-8-21-18)9-22-17(23)16-11-20-10-15(16)12-4-6-14(19)7-5-12/h2-8,10-11,20H,9H2,1H3,(H,22,23)
InChIKeyALCUUIVHKNFBAN-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.15
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrrole-3-carboxamide

4-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrrole-3-carboxamide (PubChem CID 71929536) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrrole-3-carboxamide
PubChem CID71929536
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name4-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrrole-3-carboxamide
SMILESCOc1ncccc1CNC(=O)c1c[nH]cc1-c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O2/c1-24-18-13(3-2-8-21-18)9-22-17(23)16-11-20-10-15(16)12-4-6-14(19)7-5-12/h2-8,10-11,20H,9H2,1H3,(H,22,23)
InChIKeyALCUUIVHKNFBAN-UHFFFAOYSA-N
XLogP3.15
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 103891873
2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533778
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 61213958
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
2,4-dimethoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533824
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
5-fluoro-2-iodo-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 60616344
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-methoxypyridine-3-carboxamide
CID 52807858
2-(2,5-dichlorophenoxy)-5-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 91350937
3,5-dibromo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 103907640
3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 58810334
2-chloro-N-[(2-ethoxy-3-pyridinyl)methyl]-4-fluorobenzamide
CID 38537865

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrrole-3-carboxamide (CID 71929536) is 4-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrrole-3-carboxamide is COc1ncccc1CNC(=O)c1c[nH]cc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is ALCUUIVHKNFBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-24-18-13(3-2-8-21-18)9-22-17(23)16-11-20-10-15(16)12-4-6-14(19)7-5-12/h2-8,10-11,20H,9H2,1H3,(H,22,23).
What are the key properties of 4-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrrole-3-carboxamide?
4-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 71929536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).