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

C19H20BrFN2O — CID 8834530

IUPAC5-bromo-N-cyclohexyl-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(c1cncc(Br)c1)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C19H20BrFN2O/c20-16-10-15(11-22-12-16)19(24)23(18-4-2-1-3-5-18)13-14-6-8-17(21)9-7-14/h6-12,18H,1-5,13H2
InChIKeyYCBPKTRKZWXMJH-UHFFFAOYSA-N
MW391.28 g/mol
LogP4.96
Rot. Bonds4

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

5-bromo-N-cyclohexyl-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 8834530) has the molecular formula C19H20BrFN2O and a molecular weight of 391.28 g/mol. Its IUPAC name is 5-bromo-N-cyclohexyl-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclohexyl-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID8834530
Molecular FormulaC19H20BrFN2O
Molecular Weight391.28 g/mol
Exact Mass390.07
IUPAC Name5-bromo-N-cyclohexyl-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(c1cncc(Br)c1)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C19H20BrFN2O/c20-16-10-15(11-22-12-16)19(24)23(18-4-2-1-3-5-18)13-14-6-8-17(21)9-7-14/h6-12,18H,1-5,13H2
InChIKeyYCBPKTRKZWXMJH-UHFFFAOYSA-N
XLogP4.96
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 33352211
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CID 102872640
5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 90610645
N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide
CID 47017136
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CID 60666540
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide
CID 119688726
N-cyclohexyl-4-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 34134358
5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60729547
3-bromo-N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 4590420
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CID 78853656
N-cyclohexyl-4-fluoro-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 42762619
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclohexyl-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-cyclohexyl-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide (CID 8834530) is 5-bromo-N-cyclohexyl-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclohexyl-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-cyclohexyl-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide is O=C(c1cncc(Br)c1)N(Cc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of 5-bromo-N-cyclohexyl-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is YCBPKTRKZWXMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O/c20-16-10-15(11-22-12-16)19(24)23(18-4-2-1-3-5-18)13-14-6-8-17(21)9-7-14/h6-12,18H,1-5,13H2.
What are the key properties of 5-bromo-N-cyclohexyl-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
5-bromo-N-cyclohexyl-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 391.28 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclohexyl-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 8834530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).