N-[5-(cyclohexylamino)-2-pyridinyl]-4-methylbenzamide

C19H23N3O — CID 113024697

IUPACN-[5-(cyclohexylamino)-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(NC3CCCCC3)cn2)cc1
InChIInChI=1S/C19H23N3O/c1-14-7-9-15(10-8-14)19(23)22-18-12-11-17(13-20-18)21-16-5-3-2-4-6-16/h7-13,16,21H,2-6H2,1H3,(H,20,22,23)
InChIKeyQSVUGZFMOLDTHY-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.39
Rot. Bonds4

About N-[5-(cyclohexylamino)-2-pyridinyl]-4-methylbenzamide

N-[5-(cyclohexylamino)-2-pyridinyl]-4-methylbenzamide (PubChem CID 113024697) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[5-(cyclohexylamino)-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(cyclohexylamino)-2-pyridinyl]-4-methylbenzamide
PubChem CID113024697
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[5-(cyclohexylamino)-2-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(NC3CCCCC3)cn2)cc1
InChIInChI=1S/C19H23N3O/c1-14-7-9-15(10-8-14)19(23)22-18-12-11-17(13-20-18)21-16-5-3-2-4-6-16/h7-13,16,21H,2-6H2,1H3,(H,20,22,23)
InChIKeyQSVUGZFMOLDTHY-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-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide
CID 113024447
4-bromo-N-[5-(cyclopentylamino)-2-pyridinyl]benzamide
CID 113024450
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide
CID 113044373
N-[4-(cyclopentylamino)phenyl]-4-methylbenzamide
CID 112980589
methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate
CID 113024495
N-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide
CID 113010050
1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea
CID 113024752
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-methylbenzamide
CID 113038053
6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109161046
4-methyl-N-[5-(propylamino)-2-pyridinyl]benzamide
CID 113023427
N-(4-methylphenyl)-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide
CID 133383281
4-[[5-(cyclohexylamino)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187428

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylamino)-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[5-(cyclohexylamino)-2-pyridinyl]-4-methylbenzamide (CID 113024697) is N-[5-(cyclohexylamino)-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[5-(cyclohexylamino)-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[5-(cyclohexylamino)-2-pyridinyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(NC3CCCCC3)cn2)cc1.
What is the InChIKey of N-[5-(cyclohexylamino)-2-pyridinyl]-4-methylbenzamide?
The InChIKey is QSVUGZFMOLDTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-7-9-15(10-8-14)19(23)22-18-12-11-17(13-20-18)21-16-5-3-2-4-6-16/h7-13,16,21H,2-6H2,1H3,(H,20,22,23).
What are the key properties of N-[5-(cyclohexylamino)-2-pyridinyl]-4-methylbenzamide?
N-[5-(cyclohexylamino)-2-pyridinyl]-4-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-[5-(cyclohexylamino)-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 113024697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).