N-cyclohexyl-6-phenylmethoxypyridine-3-carboxamide

C19H22N2O2 — CID 58368075

IUPACN-cyclohexyl-6-phenylmethoxypyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C19H22N2O2/c22-19(21-17-9-5-2-6-10-17)16-11-12-18(20-13-16)23-14-15-7-3-1-4-8-15/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14H2,(H,21,22)
InChIKeyBTJKQFWPPMUJHW-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.72
Rot. Bonds5

About N-cyclohexyl-6-phenylmethoxypyridine-3-carboxamide

N-cyclohexyl-6-phenylmethoxypyridine-3-carboxamide (PubChem CID 58368075) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-cyclohexyl-6-phenylmethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-phenylmethoxypyridine-3-carboxamide
PubChem CID58368075
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-cyclohexyl-6-phenylmethoxypyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(OCc2ccccc2)nc1
InChIInChI=1S/C19H22N2O2/c22-19(21-17-9-5-2-6-10-17)16-11-12-18(20-13-16)23-14-15-7-3-1-4-8-15/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14H2,(H,21,22)
InChIKeyBTJKQFWPPMUJHW-UHFFFAOYSA-N
XLogP3.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-phenylmethoxypyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-phenylmethoxypyridine-3-carboxamide (CID 58368075) is N-cyclohexyl-6-phenylmethoxypyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-phenylmethoxypyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-phenylmethoxypyridine-3-carboxamide is O=C(NC1CCCCC1)c1ccc(OCc2ccccc2)nc1.
What is the InChIKey of N-cyclohexyl-6-phenylmethoxypyridine-3-carboxamide?
The InChIKey is BTJKQFWPPMUJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-19(21-17-9-5-2-6-10-17)16-11-12-18(20-13-16)23-14-15-7-3-1-4-8-15/h1,3-4,7-8,11-13,17H,2,5-6,9-10,14H2,(H,21,22).
What are the key properties of N-cyclohexyl-6-phenylmethoxypyridine-3-carboxamide?
N-cyclohexyl-6-phenylmethoxypyridine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-phenylmethoxypyridine-3-carboxamide is sourced from PubChem (CID 58368075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).