N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclohexanecarboxamide

C20H25N3O — CID 113011955

IUPACN-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclohexanecarboxamide
SMILESCN(Cc1ccccc1)c1ccc(NC(=O)C2CCCCC2)cn1
InChIInChI=1S/C20H25N3O/c1-23(15-16-8-4-2-5-9-16)19-13-12-18(14-21-19)22-20(24)17-10-6-3-7-11-17/h2,4-5,8-9,12-14,17H,3,6-7,10-11,15H2,1H3,(H,22,24)
InChIKeyKJVONEAFDVVKNO-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.24
Rot. Bonds5

About N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclohexanecarboxamide

N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 113011955) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclohexanecarboxamide
PubChem CID113011955
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclohexanecarboxamide
SMILESCN(Cc1ccccc1)c1ccc(NC(=O)C2CCCCC2)cn1
InChIInChI=1S/C20H25N3O/c1-23(15-16-8-4-2-5-9-16)19-13-12-18(14-21-19)22-20(24)17-10-6-3-7-11-17/h2,4-5,8-9,12-14,17H,3,6-7,10-11,15H2,1H3,(H,22,24)
InChIKeyKJVONEAFDVVKNO-UHFFFAOYSA-N
XLogP4.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclopropanecarboxamide
CID 113011952
N-[6-[benzyl(methyl)amino]-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113011998
N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide
CID 113015387
2-[[6-(dimethylamino)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 60942050
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 1452761
6-[benzyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109156294
6-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109156325
N-[4-[2-[4-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
CID 44825559
N-[6-(tert-butylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113014760
N-[4-[benzyl(methyl)amino]phenyl]oxolane-2-carboxamide
CID 112982284
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011

Frequently Asked Questions

What is the IUPAC name of N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclohexanecarboxamide (CID 113011955) is N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclohexanecarboxamide is CN(Cc1ccccc1)c1ccc(NC(=O)C2CCCCC2)cn1.
What is the InChIKey of N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is KJVONEAFDVVKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-23(15-16-8-4-2-5-9-16)19-13-12-18(14-21-19)22-20(24)17-10-6-3-7-11-17/h2,4-5,8-9,12-14,17H,3,6-7,10-11,15H2,1H3,(H,22,24).
What are the key properties of N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclohexanecarboxamide?
N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 323.44 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 113011955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).