N-[1-(2-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide

C16H18ClN3O — CID 43077690

IUPACN-[1-(2-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1N(C)C)c1ccccc1Cl
InChIInChI=1S/C16H18ClN3O/c1-11(12-7-4-5-9-14(12)17)19-16(21)13-8-6-10-18-15(13)20(2)3/h4-11H,1-3H3,(H,19,21)
InChIKeyCPMRKHMUHYDSBZ-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.29
Rot. Bonds4

About N-[1-(2-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide

N-[1-(2-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide (PubChem CID 43077690) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
PubChem CID43077690
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1N(C)C)c1ccccc1Cl
InChIInChI=1S/C16H18ClN3O/c1-11(12-7-4-5-9-14(12)17)19-16(21)13-8-6-10-18-15(13)20(2)3/h4-11H,1-3H3,(H,19,21)
InChIKeyCPMRKHMUHYDSBZ-UHFFFAOYSA-N
XLogP3.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide (CID 43077690) is N-[1-(2-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide is CC(NC(=O)c1cccnc1N(C)C)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide?
The InChIKey is CPMRKHMUHYDSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11(12-7-4-5-9-14(12)17)19-16(21)13-8-6-10-18-15(13)20(2)3/h4-11H,1-3H3,(H,19,21).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide?
N-[1-(2-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 43077690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).