5-[butyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide

C14H21N3O — CID 109223633

IUPAC5-[butyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide
SMILESCCCCN(C)c1cncc(C(=O)NC2CC2)c1
InChIInChI=1S/C14H21N3O/c1-3-4-7-17(2)13-8-11(9-15-10-13)14(18)16-12-5-6-12/h8-10,12H,3-7H2,1-2H3,(H,16,18)
InChIKeyAHQNXMWSVLTVKO-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.21
Rot. Bonds6

About 5-[butyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide

5-[butyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide (PubChem CID 109223633) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-[butyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[butyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide
PubChem CID109223633
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-[butyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide
SMILESCCCCN(C)c1cncc(C(=O)NC2CC2)c1
InChIInChI=1S/C14H21N3O/c1-3-4-7-17(2)13-8-11(9-15-10-13)14(18)16-12-5-6-12/h8-10,12H,3-7H2,1-2H3,(H,16,18)
InChIKeyAHQNXMWSVLTVKO-UHFFFAOYSA-N
XLogP2.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-5-(dipropylamino)pyridine-3-carboxamide
CID 109226706
5-[butyl(methyl)amino]-N-phenylpyridine-3-carboxamide
CID 109240365
N-cycloheptyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237072
5-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109240384
N-cyclopentyl-5-(diethylamino)pyridine-3-carboxamide
CID 109225943
5-[butyl(methyl)amino]-N,N-diethylpyridine-3-carboxamide
CID 109238765
N-benzyl-5-[butyl(methyl)amino]pyridine-3-carboxamide
CID 109231681
5-[butyl(methyl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109229497
5-N-cyclopentyl-3-N-pentylpyridine-3,5-dicarboxamide
CID 109102730
5-[butyl(methyl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109240367
5-[butyl(methyl)amino]-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109240389
5-[butyl(methyl)amino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236852

Frequently Asked Questions

What is the IUPAC name of 5-[butyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide?
The IUPAC name of 5-[butyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide (CID 109223633) is 5-[butyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for 5-[butyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for 5-[butyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide is CCCCN(C)c1cncc(C(=O)NC2CC2)c1.
What is the InChIKey of 5-[butyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide?
The InChIKey is AHQNXMWSVLTVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-4-7-17(2)13-8-11(9-15-10-13)14(18)16-12-5-6-12/h8-10,12H,3-7H2,1-2H3,(H,16,18).
What are the key properties of 5-[butyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide?
5-[butyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 109223633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).