4-chloro-N,N-diethylpyridine-2-carboxamide

C10H13ClN2O — CID 2531799

IUPAC4-chloro-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C10H13ClN2O/c1-3-13(4-2)10(14)9-7-8(11)5-6-12-9/h5-7H,3-4H2,1-2H3
InChIKeyRXQILWMQVLDJJG-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.22
Rot. Bonds3

About 4-chloro-N,N-diethylpyridine-2-carboxamide

4-chloro-N,N-diethylpyridine-2-carboxamide (PubChem CID 2531799) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-chloro-N,N-diethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N,N-diethylpyridine-2-carboxamide
PubChem CID2531799
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name4-chloro-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(Cl)ccn1
InChIInChI=1S/C10H13ClN2O/c1-3-13(4-2)10(14)9-7-8(11)5-6-12-9/h5-7H,3-4H2,1-2H3
InChIKeyRXQILWMQVLDJJG-UHFFFAOYSA-N
XLogP2.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 71307
VU0364770
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4-Chloro-N-methylpicolinamide
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4-chloropyridine-2-carbonyl Chloride
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4-Chloropyridine-2-carboxamide
CID 303543
3-Dimethylamino-1-(2-pyridyl)prop-2-en-1-one
CID 566993
N-cyclohexylpyridine-2-carboxamide
CID 10608271
N-methylpyridine-2-carboxamide
CID 12272691

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethylpyridine-2-carboxamide?
The IUPAC name of 4-chloro-N,N-diethylpyridine-2-carboxamide (CID 2531799) is 4-chloro-N,N-diethylpyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N,N-diethylpyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N,N-diethylpyridine-2-carboxamide is CCN(CC)C(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N,N-diethylpyridine-2-carboxamide?
The InChIKey is RXQILWMQVLDJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-3-13(4-2)10(14)9-7-8(11)5-6-12-9/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-chloro-N,N-diethylpyridine-2-carboxamide?
4-chloro-N,N-diethylpyridine-2-carboxamide has a molecular weight of 212.68 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethylpyridine-2-carboxamide is sourced from PubChem (CID 2531799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).