N-cyclohexyl-5-[(cyclohexylamino)-cyclopropylidenemethyl]pyridine-2-carboxamide

C22H31N3O — CID 70888296

IUPACN-cyclohexyl-5-[(cyclohexylamino)-cyclopropylidenemethyl]pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(C(NC2CCCCC2)=C2CC2)cn1
InChIInChI=1S/C22H31N3O/c26-22(25-19-9-5-2-6-10-19)20-14-13-17(15-23-20)21(16-11-12-16)24-18-7-3-1-4-8-18/h13-15,18-19,24H,1-12H2,(H,25,26)
InChIKeyFIOATTYODRGJQW-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.57
Rot. Bonds5

About N-cyclohexyl-5-[(cyclohexylamino)-cyclopropylidenemethyl]pyridine-2-carboxamide

N-cyclohexyl-5-[(cyclohexylamino)-cyclopropylidenemethyl]pyridine-2-carboxamide (PubChem CID 70888296) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is N-cyclohexyl-5-[(cyclohexylamino)-cyclopropylidenemethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[(cyclohexylamino)-cyclopropylidenemethyl]pyridine-2-carboxamide
PubChem CID70888296
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC NameN-cyclohexyl-5-[(cyclohexylamino)-cyclopropylidenemethyl]pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(C(NC2CCCCC2)=C2CC2)cn1
InChIInChI=1S/C22H31N3O/c26-22(25-19-9-5-2-6-10-19)20-14-13-17(15-23-20)21(16-11-12-16)24-18-7-3-1-4-8-18/h13-15,18-19,24H,1-12H2,(H,25,26)
InChIKeyFIOATTYODRGJQW-UHFFFAOYSA-N
XLogP4.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
5-carbamothioyl-N-cyclopentylpyridine-2-carboxamide
CID 55230781
methyl 6-(cyclopentylcarbamoyl)pyridine-3-carboxylate
CID 31939115
5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid
CID 43414727
5-(cyclohexylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179840
5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 109182978
N-cyclobutyl-5-methylpyridine-2-carboxamide
CID 170056265
N-cyclooctyl-6-hydrazinylpyridine-3-carboxamide
CID 62237790
5-(cyclooctylcarbamoyl)pyrazine-2-carboxylic acid
CID 120684742
N-cycloheptyl-5-(4-methylanilino)pyridine-2-carboxamide
CID 109195297
6-(cyclohexylamino)-N-cyclopropylpyridine-3-carboxamide
CID 25473351
N-cyclohexyl-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109182921

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(cyclohexylamino)-cyclopropylidenemethyl]pyridine-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-[(cyclohexylamino)-cyclopropylidenemethyl]pyridine-2-carboxamide (CID 70888296) is N-cyclohexyl-5-[(cyclohexylamino)-cyclopropylidenemethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[(cyclohexylamino)-cyclopropylidenemethyl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[(cyclohexylamino)-cyclopropylidenemethyl]pyridine-2-carboxamide is O=C(NC1CCCCC1)c1ccc(C(NC2CCCCC2)=C2CC2)cn1.
What is the InChIKey of N-cyclohexyl-5-[(cyclohexylamino)-cyclopropylidenemethyl]pyridine-2-carboxamide?
The InChIKey is FIOATTYODRGJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c26-22(25-19-9-5-2-6-10-19)20-14-13-17(15-23-20)21(16-11-12-16)24-18-7-3-1-4-8-18/h13-15,18-19,24H,1-12H2,(H,25,26).
What are the key properties of N-cyclohexyl-5-[(cyclohexylamino)-cyclopropylidenemethyl]pyridine-2-carboxamide?
N-cyclohexyl-5-[(cyclohexylamino)-cyclopropylidenemethyl]pyridine-2-carboxamide has a molecular weight of 353.51 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(cyclohexylamino)-cyclopropylidenemethyl]pyridine-2-carboxamide is sourced from PubChem (CID 70888296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).