5-(cycloheptylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide

C20H24FN3O — CID 109233566

IUPAC5-(cycloheptylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cncc(NC2CCCCCC2)c1
InChIInChI=1S/C20H24FN3O/c21-17-9-7-15(8-10-17)12-23-20(25)16-11-19(14-22-13-16)24-18-5-3-1-2-4-6-18/h7-11,13-14,18,24H,1-6,12H2,(H,23,25)
InChIKeyRDNDYKOQQGYQHE-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.29
Rot. Bonds5

About 5-(cycloheptylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide

5-(cycloheptylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 109233566) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 5-(cycloheptylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(cycloheptylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID109233566
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name5-(cycloheptylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cncc(NC2CCCCCC2)c1
InChIInChI=1S/C20H24FN3O/c21-17-9-7-15(8-10-17)12-23-20(25)16-11-19(14-22-13-16)24-18-5-3-1-2-4-6-18/h7-11,13-14,18,24H,1-6,12H2,(H,23,25)
InChIKeyRDNDYKOQQGYQHE-UHFFFAOYSA-N
XLogP4.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-N-[(4-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109249735
5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231985
5-(cyclopentylamino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109226082
3-[2-(cyclohexylamino)pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]benzamide
CID 53010659
5-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109226851
5-(cyclopentylamino)-N-cyclopropylpyridine-3-carboxamide
CID 109223558
4-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109201906
5-N-(3,4-difluorophenyl)-3-N-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105648
5-(cyclopentylamino)-N-pentylpyridine-3-carboxamide
CID 109226139
5-(cycloheptylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223234
N-(4-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226928
5-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109223782

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(cycloheptylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide (CID 109233566) is 5-(cycloheptylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(cycloheptylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(cycloheptylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1cncc(NC2CCCCCC2)c1.
What is the InChIKey of 5-(cycloheptylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is RDNDYKOQQGYQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c21-17-9-7-15(8-10-17)12-23-20(25)16-11-19(14-22-13-16)24-18-5-3-1-2-4-6-18/h7-11,13-14,18,24H,1-6,12H2,(H,23,25).
What are the key properties of 5-(cycloheptylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
5-(cycloheptylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylamino)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109233566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).