3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide

C13H18ClN3O2 — CID 66484898

IUPAC3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1ccncc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-4-17(5-2)12(18)9-16(3)13(19)10-6-7-15-8-11(10)14/h6-8H,4-5,9H2,1-3H3
InChIKeyQUHLLPWQWMNJMS-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.68
Rot. Bonds5

About 3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide

3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide (PubChem CID 66484898) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
PubChem CID66484898
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1ccncc1Cl
InChIInChI=1S/C13H18ClN3O2/c1-4-17(5-2)12(18)9-16(3)13(19)10-6-7-15-8-11(10)14/h6-8H,4-5,9H2,1-3H3
InChIKeyQUHLLPWQWMNJMS-UHFFFAOYSA-N
XLogP1.68
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66464024
3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
CID 66463826
3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 66482539
3-chloro-N-[2-(dimethylamino)ethyl]-N-propylpyridine-4-carboxamide
CID 66483955
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide
CID 104920297
2-[carboxymethyl-(3-chloropyridine-4-carbonyl)amino]acetic acid
CID 66464574
N-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide
CID 66464783
3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 66484932
3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide
CID 104555833
3-chloro-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
CID 66463593
3,6-dichloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
CID 60718086

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide (CID 66484898) is 3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide is CCN(CC)C(=O)CN(C)C(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
The InChIKey is QUHLLPWQWMNJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-4-17(5-2)12(18)9-16(3)13(19)10-6-7-15-8-11(10)14/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide?
3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 66484898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).