4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide

C13H22N4O — CID 81241040

IUPAC4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide
SMILESCCCN(CCN(C)C)C(=O)c1cnccc1N
InChIInChI=1S/C13H22N4O/c1-4-7-17(9-8-16(2)3)13(18)11-10-15-6-5-12(11)14/h5-6,10H,4,7-9H2,1-3H3,(H2,14,15)
InChIKeyWKWQMKJSXUYYKX-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.08
Rot. Bonds6

About 4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide

4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide (PubChem CID 81241040) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide
PubChem CID81241040
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide
SMILESCCCN(CCN(C)C)C(=O)c1cnccc1N
InChIInChI=1S/C13H22N4O/c1-4-7-17(9-8-16(2)3)13(18)11-10-15-6-5-12(11)14/h5-6,10H,4,7-9H2,1-3H3,(H2,14,15)
InChIKeyWKWQMKJSXUYYKX-UHFFFAOYSA-N
XLogP1.08
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide
CID 66483955
N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide
CID 115646479
2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 62161459
2-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-N-propylbenzamide
CID 63110466
2-amino-N-[2-(dimethylamino)ethyl]-5-nitro-N-propylbenzamide
CID 62161614
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
4-amino-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 104554326
2-amino-N,N-dipropylbenzamide
CID 16769117
3-amino-N-butyl-N-ethylpyridine-4-carboxamide
CID 105068020
5-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 81317233
3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
CID 66463826
2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide
CID 115540587

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide (CID 81241040) is 4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide is CCCN(CCN(C)C)C(=O)c1cnccc1N.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide?
The InChIKey is WKWQMKJSXUYYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-7-17(9-8-16(2)3)13(18)11-10-15-6-5-12(11)14/h5-6,10H,4,7-9H2,1-3H3,(H2,14,15).
What are the key properties of 4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide?
4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 81241040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).