N-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide

C19H23N3O — CID 113010050

IUPACN-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(NC3CCCCC3)nc2)c1
InChIInChI=1S/C19H23N3O/c1-14-6-5-7-15(12-14)19(23)22-17-10-11-18(20-13-17)21-16-8-3-2-4-9-16/h5-7,10-13,16H,2-4,8-9H2,1H3,(H,20,21)(H,22,23)
InChIKeyVDUAWNOWANLRAL-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.39
Rot. Bonds4

About N-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide

N-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide (PubChem CID 113010050) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide
PubChem CID113010050
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(NC3CCCCC3)nc2)c1
InChIInChI=1S/C19H23N3O/c1-14-6-5-7-15(12-14)19(23)22-17-10-11-18(20-13-17)21-16-8-3-2-4-9-16/h5-7,10-13,16H,2-4,8-9H2,1H3,(H,20,21)(H,22,23)
InChIKeyVDUAWNOWANLRAL-UHFFFAOYSA-N
XLogP4.39
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(cyclopropylamino)-3-pyridinyl]-3-methylbenzamide
CID 115268637
N-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113014907
N-[6-(cyclohexylamino)-3-pyridinyl]-3,4-dimethoxybenzamide
CID 113010066
5-(cyclohexylamino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109274899
N-[6-(3,5-dichloroanilino)-3-pyridinyl]-3-methylbenzamide
CID 113022321
N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide
CID 54816361
N-[5-(cyclohexylamino)-2-pyridinyl]-4-methylbenzamide
CID 113024697
3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031421
N-cyclooctyl-3-methylbenzamide
CID 966011
N-[6-(2-bromo-4-methylanilino)-3-pyridinyl]-3-methylbenzamide
CID 113021470
N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-3-methylbenzamide
CID 53187620
2-(azepan-1-yl)-5-[(3-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094075

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide?
The IUPAC name of N-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide (CID 113010050) is N-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide.
What is the SMILES notation for N-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide?
The canonical SMILES for N-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(NC3CCCCC3)nc2)c1.
What is the InChIKey of N-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide?
The InChIKey is VDUAWNOWANLRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-6-5-7-15(12-14)19(23)22-17-10-11-18(20-13-17)21-16-8-3-2-4-9-16/h5-7,10-13,16H,2-4,8-9H2,1H3,(H,20,21)(H,22,23).
What are the key properties of N-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide?
N-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide has a molecular weight of 309.41 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide is sourced from PubChem (CID 113010050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).