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

C13H21ClN4O — CID 62161613

IUPAC6-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide
SMILESCCCN(CCN(C)C)C(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C13H21ClN4O/c1-4-7-18(9-8-17(2)3)13(19)12-10(14)5-6-11(15)16-12/h5-6H,4,7-9H2,1-3H3,(H2,15,16)
InChIKeyJWQGMLYBSIRHFK-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.73
Rot. Bonds6

About 6-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide

6-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide (PubChem CID 62161613) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 6-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide
PubChem CID62161613
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name6-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide
SMILESCCCN(CCN(C)C)C(=O)c1nc(N)ccc1Cl
InChIInChI=1S/C13H21ClN4O/c1-4-7-18(9-8-17(2)3)13(19)12-10(14)5-6-11(15)16-12/h5-6H,4,7-9H2,1-3H3,(H2,15,16)
InChIKeyJWQGMLYBSIRHFK-UHFFFAOYSA-N
XLogP1.73
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N,N-dibutyl-3-chloropyridine-2-carboxamide
CID 55042068
6-amino-3-chloro-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide
CID 55042057
6-amino-3-chloro-N-ethyl-N-methylpyridine-2-carboxamide
CID 62154422
6-amino-3-chloro-N-ethyl-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62153910
2-amino-6-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide
CID 55244149
2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide
CID 115540587
6-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyrazine-2-carboxamide
CID 106551556
6-amino-3-chloro-N-ethylpyridine-2-carboxamide
CID 62154853
6-amino-3-chloro-N-(5-hydroxypentyl)-N-methylpyridine-2-carboxamide
CID 107201186
6-amino-3-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 112664231
6-amino-N-butan-2-yl-3-chloro-N-ethylpyridine-2-carboxamide
CID 62154764
6-amino-3-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62161041

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide?
The IUPAC name of 6-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide (CID 62161613) is 6-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 6-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide?
The canonical SMILES for 6-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide is CCCN(CCN(C)C)C(=O)c1nc(N)ccc1Cl.
What is the InChIKey of 6-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide?
The InChIKey is JWQGMLYBSIRHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-4-7-18(9-8-17(2)3)13(19)12-10(14)5-6-11(15)16-12/h5-6H,4,7-9H2,1-3H3,(H2,15,16).
What are the key properties of 6-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide?
6-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide has a molecular weight of 284.79 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 62161613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).