N-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide

C16H18ClN3O — CID 109194760

IUPACN-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(C(=O)Nc2cccc(Cl)c2)nc1
InChIInChI=1S/C16H18ClN3O/c1-3-20(4-2)14-8-9-15(18-11-14)16(21)19-13-7-5-6-12(17)10-13/h5-11H,3-4H2,1-2H3,(H,19,21)
InChIKeyOSHMSMGODCVSQQ-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.83
Rot. Bonds5

About N-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide

N-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide (PubChem CID 109194760) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide
PubChem CID109194760
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(C(=O)Nc2cccc(Cl)c2)nc1
InChIInChI=1S/C16H18ClN3O/c1-3-20(4-2)14-8-9-15(18-11-14)16(21)19-13-7-5-6-12(17)10-13/h5-11H,3-4H2,1-2H3,(H,19,21)
InChIKeyOSHMSMGODCVSQQ-UHFFFAOYSA-N
XLogP3.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733
N-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide
CID 109286897
N-(3-cyanophenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194832
N-(4-chloro-2-methylphenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194764
N-(2,4-dichlorophenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194822
5-(diethylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109194751
2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 1019302
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-2-carboxamide
CID 109194819
N-(3-chloro-4-fluorophenyl)-5-(dipropylamino)pyridine-2-carboxamide
CID 109196641
6-[benzyl(ethyl)amino]-N-(3-chlorophenyl)pyridazine-3-carboxamide
CID 109120537
5-[benzyl(ethyl)amino]-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 109190828
N-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109197509

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide (CID 109194760) is N-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide is CCN(CC)c1ccc(C(=O)Nc2cccc(Cl)c2)nc1.
What is the InChIKey of N-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide?
The InChIKey is OSHMSMGODCVSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-20(4-2)14-8-9-15(18-11-14)16(21)19-13-7-5-6-12(17)10-13/h5-11H,3-4H2,1-2H3,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide?
N-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109194760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).