5-(aminomethyl)-N,N-dipropylpyridine-2-carboxamide

C13H21N3O — CID 55229815

IUPAC5-(aminomethyl)-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(CN)cn1
InChIInChI=1S/C13H21N3O/c1-3-7-16(8-4-2)13(17)12-6-5-11(9-14)10-15-12/h5-6,10H,3-4,7-9,14H2,1-2H3
InChIKeyCDYIBMZLVGWEQV-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.80
Rot. Bonds6

About 5-(aminomethyl)-N,N-dipropylpyridine-2-carboxamide

5-(aminomethyl)-N,N-dipropylpyridine-2-carboxamide (PubChem CID 55229815) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(aminomethyl)-N,N-dipropylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N,N-dipropylpyridine-2-carboxamide
PubChem CID55229815
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-(aminomethyl)-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc(CN)cn1
InChIInChI=1S/C13H21N3O/c1-3-7-16(8-4-2)13(17)12-6-5-11(9-14)10-15-12/h5-6,10H,3-4,7-9,14H2,1-2H3
InChIKeyCDYIBMZLVGWEQV-UHFFFAOYSA-N
XLogP1.80
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 63723207
5-(aminomethyl)-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 55229435
5-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 79384484
5-(aminomethyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylpyridine-2-carboxamide
CID 63724556
5-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide
CID 107396959
5-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 81317233
5-(aminomethyl)-N-(2-ethoxyethyl)-N-methylpyridine-2-carboxamide
CID 81053194
5-(aminomethyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide
CID 63723531
5-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridine-2-carboxamide
CID 79483346
N-[4-(aminomethyl)phenyl]-5-fluoro-N-propylpyridine-2-carboxamide
CID 104637938
5-N,5-N-dipropylpyridine-2,5-dicarboxamide
CID 47460392
N-ethyl-5-hydrazinyl-N-propylpyridine-2-carboxamide
CID 104642611

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N,N-dipropylpyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N,N-dipropylpyridine-2-carboxamide (CID 55229815) is 5-(aminomethyl)-N,N-dipropylpyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N,N-dipropylpyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N,N-dipropylpyridine-2-carboxamide is CCCN(CCC)C(=O)c1ccc(CN)cn1.
What is the InChIKey of 5-(aminomethyl)-N,N-dipropylpyridine-2-carboxamide?
The InChIKey is CDYIBMZLVGWEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-7-16(8-4-2)13(17)12-6-5-11(9-14)10-15-12/h5-6,10H,3-4,7-9,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N,N-dipropylpyridine-2-carboxamide?
5-(aminomethyl)-N,N-dipropylpyridine-2-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N,N-dipropylpyridine-2-carboxamide is sourced from PubChem (CID 55229815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).