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

C13H20ClN3O — CID 66483955

IUPAC3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide
SMILESCCCN(CCN(C)C)C(=O)c1ccncc1Cl
InChIInChI=1S/C13H20ClN3O/c1-4-7-17(9-8-16(2)3)13(18)11-5-6-15-10-12(11)14/h5-6,10H,4,7-9H2,1-3H3
InChIKeyWJOQVHGDFFZIPV-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.15
Rot. Bonds6

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

3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide (PubChem CID 66483955) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide
PubChem CID66483955
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide
SMILESCCCN(CCN(C)C)C(=O)c1ccncc1Cl
InChIInChI=1S/C13H20ClN3O/c1-4-7-17(9-8-16(2)3)13(18)11-5-6-15-10-12(11)14/h5-6,10H,4,7-9H2,1-3H3
InChIKeyWJOQVHGDFFZIPV-UHFFFAOYSA-N
XLogP2.15
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
CID 66463826
N-[2-(dimethylamino)ethyl]-3-fluoro-N-propylpyridine-4-carboxamide
CID 115646479
3-chloro-N-(cyclopropylmethyl)-N-propylpyridine-4-carboxamide
CID 66482927
4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 81241040
3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 66484898
N-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide
CID 66464783
2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid
CID 66464574
2-amino-3-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide
CID 115540587
3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide
CID 104555833
6-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyrazine-2-carboxamide
CID 106551556
3-chloro-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
CID 66463593

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide (CID 66483955) is 3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide is CCCN(CCN(C)C)C(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide?
The InChIKey is WJOQVHGDFFZIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-4-7-17(9-8-16(2)3)13(18)11-5-6-15-10-12(11)14/h5-6,10H,4,7-9H2,1-3H3.
What are the key properties of 3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide?
3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide has a molecular weight of 269.78 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 66483955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).