N-(4-chloro-2-methylphenyl)-5-(diethylamino)pyridine-2-carboxamide

C17H20ClN3O — CID 109194764

IUPACN-(4-chloro-2-methylphenyl)-5-(diethylamino)pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(C(=O)Nc2ccc(Cl)cc2C)nc1
InChIInChI=1S/C17H20ClN3O/c1-4-21(5-2)14-7-9-16(19-11-14)17(22)20-15-8-6-13(18)10-12(15)3/h6-11H,4-5H2,1-3H3,(H,20,22)
InChIKeySGFFVUGAKHJREV-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.14
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-5-(diethylamino)pyridine-2-carboxamide

N-(4-chloro-2-methylphenyl)-5-(diethylamino)pyridine-2-carboxamide (PubChem CID 109194764) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-5-(diethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-5-(diethylamino)pyridine-2-carboxamide
PubChem CID109194764
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-(4-chloro-2-methylphenyl)-5-(diethylamino)pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(C(=O)Nc2ccc(Cl)cc2C)nc1
InChIInChI=1S/C17H20ClN3O/c1-4-21(5-2)14-7-9-16(19-11-14)17(22)20-15-8-6-13(18)10-12(15)3/h6-11H,4-5H2,1-3H3,(H,20,22)
InChIKeySGFFVUGAKHJREV-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194822
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-2-carboxamide
CID 109194819
N-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194760
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)phenyl]propanediamide
CID 108955203
6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427229
5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109195211
N-[4-(diethylamino)-2-methylphenyl]-5-(dipropylamino)pyrazine-2-carboxamide
CID 109289101
5-[benzyl(ethyl)amino]-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109190820
N-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195856
5-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 109183226
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181316

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-5-(diethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-5-(diethylamino)pyridine-2-carboxamide (CID 109194764) is N-(4-chloro-2-methylphenyl)-5-(diethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-5-(diethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-5-(diethylamino)pyridine-2-carboxamide is CCN(CC)c1ccc(C(=O)Nc2ccc(Cl)cc2C)nc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-5-(diethylamino)pyridine-2-carboxamide?
The InChIKey is SGFFVUGAKHJREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-4-21(5-2)14-7-9-16(19-11-14)17(22)20-15-8-6-13(18)10-12(15)3/h6-11H,4-5H2,1-3H3,(H,20,22).
What are the key properties of N-(4-chloro-2-methylphenyl)-5-(diethylamino)pyridine-2-carboxamide?
N-(4-chloro-2-methylphenyl)-5-(diethylamino)pyridine-2-carboxamide has a molecular weight of 317.82 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-5-(diethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109194764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).