5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide

C14H21N3O — CID 107396959

IUPAC5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide
SMILESCCN(CC1CCC1)C(=O)c1ccc(CN)cn1
InChIInChI=1S/C14H21N3O/c1-2-17(10-11-4-3-5-11)14(18)13-7-6-12(8-15)9-16-13/h6-7,9,11H,2-5,8,10,15H2,1H3
InChIKeyCHKFNJXWHKARPN-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.80
Rot. Bonds5

About 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide

5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide (PubChem CID 107396959) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide
PubChem CID107396959
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide
SMILESCCN(CC1CCC1)C(=O)c1ccc(CN)cn1
InChIInChI=1S/C14H21N3O/c1-2-17(10-11-4-3-5-11)14(18)13-7-6-12(8-15)9-16-13/h6-7,9,11H,2-5,8,10,15H2,1H3
InChIKeyCHKFNJXWHKARPN-UHFFFAOYSA-N
XLogP1.80
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide
CID 63723531
5-cyano-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide
CID 107398621
5-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 79384484
5-(aminomethyl)-N,N-dipropylpyridine-2-carboxamide
CID 55229815
5-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide
CID 63724556
5-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 63724401
5-(aminomethyl)-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 55229435
2-cyclobutylethyl 5-(aminomethyl)pyridine-2-carboxylate
CID 106203037
N-(cyclobutylmethyl)-N-ethyl-6-hydrazinylpyridine-2-carboxamide
CID 107401457
4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide
CID 107397605
5-(aminomethyl)-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 63723702
5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 63723207

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide (CID 107396959) is 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide is CCN(CC1CCC1)C(=O)c1ccc(CN)cn1.
What is the InChIKey of 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide?
The InChIKey is CHKFNJXWHKARPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-17(10-11-4-3-5-11)14(18)13-7-6-12(8-15)9-16-13/h6-7,9,11H,2-5,8,10,15H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide?
5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 107396959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).