4-(4-chloro-2-methylanilino)-N,N-diethylpyridine-2-carboxamide

C17H20ClN3O — CID 109216419

IUPAC4-(4-chloro-2-methylanilino)-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(Nc2ccc(Cl)cc2C)ccn1
InChIInChI=1S/C17H20ClN3O/c1-4-21(5-2)17(22)16-11-14(8-9-19-16)20-15-7-6-13(18)10-12(15)3/h6-11H,4-5H2,1-3H3,(H,19,20)
InChIKeySIOYRAVTYLORRU-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.27
Rot. Bonds5

About 4-(4-chloro-2-methylanilino)-N,N-diethylpyridine-2-carboxamide

4-(4-chloro-2-methylanilino)-N,N-diethylpyridine-2-carboxamide (PubChem CID 109216419) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 4-(4-chloro-2-methylanilino)-N,N-diethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylanilino)-N,N-diethylpyridine-2-carboxamide
PubChem CID109216419
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name4-(4-chloro-2-methylanilino)-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(Nc2ccc(Cl)cc2C)ccn1
InChIInChI=1S/C17H20ClN3O/c1-4-21(5-2)17(22)16-11-14(8-9-19-16)20-15-7-6-13(18)10-12(15)3/h6-11H,4-5H2,1-3H3,(H,19,20)
InChIKeySIOYRAVTYLORRU-UHFFFAOYSA-N
XLogP4.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109216389
4-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213313
4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218765
N-benzyl-N-ethyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109212519
4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216443
2-(4-chloro-2-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313013
4-(4-chloro-2-methylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204837
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
4-(2,4-dichloroanilino)-N-propylpyridine-2-carboxamide
CID 109201162
4-[2-(3-chlorophenyl)ethylamino]-N,N-diethylpyridine-2-carboxamide
CID 109216384
5-(4-chloro-2-methylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288935
N-(4-chloro-2-methylphenyl)-4-(2-methoxyanilino)pyridine-2-carboxamide
CID 109221193

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylanilino)-N,N-diethylpyridine-2-carboxamide?
The IUPAC name of 4-(4-chloro-2-methylanilino)-N,N-diethylpyridine-2-carboxamide (CID 109216419) is 4-(4-chloro-2-methylanilino)-N,N-diethylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-chloro-2-methylanilino)-N,N-diethylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-chloro-2-methylanilino)-N,N-diethylpyridine-2-carboxamide is CCN(CC)C(=O)c1cc(Nc2ccc(Cl)cc2C)ccn1.
What is the InChIKey of 4-(4-chloro-2-methylanilino)-N,N-diethylpyridine-2-carboxamide?
The InChIKey is SIOYRAVTYLORRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-4-21(5-2)17(22)16-11-14(8-9-19-16)20-15-7-6-13(18)10-12(15)3/h6-11H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 4-(4-chloro-2-methylanilino)-N,N-diethylpyridine-2-carboxamide?
4-(4-chloro-2-methylanilino)-N,N-diethylpyridine-2-carboxamide has a molecular weight of 317.82 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylanilino)-N,N-diethylpyridine-2-carboxamide is sourced from PubChem (CID 109216419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).