N-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide

C20H25N3O — CID 109239507

IUPACN-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide
SMILESCc1cccc(Nc2cncc(C(=O)NC3CCCCCC3)c2)c1
InChIInChI=1S/C20H25N3O/c1-15-7-6-10-18(11-15)22-19-12-16(13-21-14-19)20(24)23-17-8-4-2-3-5-9-17/h6-7,10-14,17,22H,2-5,8-9H2,1H3,(H,23,24)
InChIKeyVNOXWLKARWCKKB-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.59
Rot. Bonds4

About N-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide

N-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide (PubChem CID 109239507) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide
PubChem CID109239507
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide
SMILESCc1cccc(Nc2cncc(C(=O)NC3CCCCCC3)c2)c1
InChIInChI=1S/C20H25N3O/c1-15-7-6-10-18(11-15)22-19-12-16(13-21-14-19)20(24)23-17-8-4-2-3-5-9-17/h6-7,10-14,17,22H,2-5,8-9H2,1H3,(H,23,24)
InChIKeyVNOXWLKARWCKKB-UHFFFAOYSA-N
XLogP4.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-anilino-N-cyclohexylpyridine-3-carboxamide
CID 109226711
N-(1,1-dioxothiolan-3-yl)-5-(3-methylanilino)pyridine-3-carboxamide
CID 109237173
N-cyclohexyl-5-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 109226796
5-(4-acetamidoanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109226017
5-(4-bromo-2-methylanilino)-N-cyclohexylpyridine-3-carboxamide
CID 109226784
5-(4-tert-butylanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109225984
5-(1,3-benzodioxol-5-ylamino)-N-cycloheptylpyridine-3-carboxamide
CID 109239565
5-(1,3-benzodioxol-5-ylamino)-N-cyclohexylpyridine-3-carboxamide
CID 109226786
N-cyclooctyl-3-methylbenzamide
CID 966011
N-cyclopentyl-5-(3,5-dichloroanilino)pyridine-3-carboxamide
CID 109226052
5-N-cycloheptyl-3-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109107035
N-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109239521

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide (CID 109239507) is N-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide is Cc1cccc(Nc2cncc(C(=O)NC3CCCCCC3)c2)c1.
What is the InChIKey of N-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide?
The InChIKey is VNOXWLKARWCKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15-7-6-10-18(11-15)22-19-12-16(13-21-14-19)20(24)23-17-8-4-2-3-5-9-17/h6-7,10-14,17,22H,2-5,8-9H2,1H3,(H,23,24).
What are the key properties of N-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide?
N-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-(3-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109239507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).