5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide

C17H27N3O — CID 109181080

IUPAC5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(NC2CCCCCC2)cn1
InChIInChI=1S/C17H27N3O/c1-13(2)11-19-17(21)16-10-9-15(12-18-16)20-14-7-5-3-4-6-8-14/h9-10,12-14,20H,3-8,11H2,1-2H3,(H,19,21)
InChIKeyBRACARCCVBOXQK-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.60
Rot. Bonds5

About 5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide

5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 109181080) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID109181080
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(NC2CCCCCC2)cn1
InChIInChI=1S/C17H27N3O/c1-13(2)11-19-17(21)16-10-9-15(12-18-16)20-14-7-5-3-4-6-8-14/h9-10,12-14,20H,3-8,11H2,1-2H3,(H,19,21)
InChIKeyBRACARCCVBOXQK-UHFFFAOYSA-N
XLogP3.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclohexylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109179444
5-(cycloheptylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272801
5-(cycloheptylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109185339
5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109183067
5-(cyclohexylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179840
5-(cyclopentylamino)-N-prop-2-enylpyridine-2-carboxamide
CID 109180232
5-(cyclohexylamino)-N-phenylpyridine-2-carboxamide
CID 109183141
N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide
CID 109183086
5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109183069
6-(cyclohexylamino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362124
5-[4-(dimethylamino)anilino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181155
N-[2-(4-chlorophenyl)ethyl]-5-(cyclopentylamino)pyridine-2-carboxamide
CID 109182393

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide (CID 109181080) is 5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide is CC(C)CNC(=O)c1ccc(NC2CCCCCC2)cn1.
What is the InChIKey of 5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is BRACARCCVBOXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)11-19-17(21)16-10-9-15(12-18-16)20-14-7-5-3-4-6-8-14/h9-10,12-14,20H,3-8,11H2,1-2H3,(H,19,21).
What are the key properties of 5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide?
5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109181080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).