N-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide

C18H29N3O — CID 109195352

IUPACN-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(NC2CCCCCC2)cn1
InChIInChI=1S/C18H29N3O/c1-3-4-13-21(2)18(22)17-12-11-16(14-19-17)20-15-9-7-5-6-8-10-15/h11-12,14-15,20H,3-10,13H2,1-2H3
InChIKeyJGBGFTAVOJJZFF-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.09
Rot. Bonds6

About N-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide

N-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide (PubChem CID 109195352) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide
PubChem CID109195352
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(NC2CCCCCC2)cn1
InChIInChI=1S/C18H29N3O/c1-3-4-13-21(2)18(22)17-12-11-16(14-19-17)20-15-9-7-5-6-8-10-15/h11-12,14-15,20H,3-10,13H2,1-2H3
InChIKeyJGBGFTAVOJJZFF-UHFFFAOYSA-N
XLogP4.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-5-[(1,1-dioxothiolan-3-yl)amino]-N-methylpyridine-2-carboxamide
CID 109193135
N-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide
CID 109112879
5-(cycloheptylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109185339
5-(cycloheptylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109195372
N-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191631
N-[3-(dimethylamino)propyl]-5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104641378
N-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182041
5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181080
5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109183067
N-butyl-5-(3-chloro-4-methylanilino)-N-methylpyridine-2-carboxamide
CID 109195962
N-butyl-5-(2-ethyl-6-methylanilino)-N-methylpyridine-2-carboxamide
CID 109195948
N-butyl-5-(2,3-dichloroanilino)-N-methylpyridine-2-carboxamide
CID 109196018

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide (CID 109195352) is N-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide is CCCCN(C)C(=O)c1ccc(NC2CCCCCC2)cn1.
What is the InChIKey of N-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide?
The InChIKey is JGBGFTAVOJJZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-3-4-13-21(2)18(22)17-12-11-16(14-19-17)20-15-9-7-5-6-8-10-15/h11-12,14-15,20H,3-10,13H2,1-2H3.
What are the key properties of N-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide?
N-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(cycloheptylamino)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 109195352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).