N-[2-(3-chlorophenyl)ethyl]-5-(dipropylamino)pyridine-2-carboxamide

C20H26ClN3O — CID 109196611

IUPACN-[2-(3-chlorophenyl)ethyl]-5-(dipropylamino)pyridine-2-carboxamide
SMILESCCCN(CCC)c1ccc(C(=O)NCCc2cccc(Cl)c2)nc1
InChIInChI=1S/C20H26ClN3O/c1-3-12-24(13-4-2)18-8-9-19(23-15-18)20(25)22-11-10-16-6-5-7-17(21)14-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,22,25)
InChIKeyOPFSHLPOTDLNDY-UHFFFAOYSA-N
MW359.90 g/mol
LogP4.33
Rot. Bonds9

About N-[2-(3-chlorophenyl)ethyl]-5-(dipropylamino)pyridine-2-carboxamide

N-[2-(3-chlorophenyl)ethyl]-5-(dipropylamino)pyridine-2-carboxamide (PubChem CID 109196611) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-5-(dipropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-5-(dipropylamino)pyridine-2-carboxamide
PubChem CID109196611
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-5-(dipropylamino)pyridine-2-carboxamide
SMILESCCCN(CCC)c1ccc(C(=O)NCCc2cccc(Cl)c2)nc1
InChIInChI=1S/C20H26ClN3O/c1-3-12-24(13-4-2)18-8-9-19(23-15-18)20(25)22-11-10-16-6-5-7-17(21)14-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,22,25)
InChIKeyOPFSHLPOTDLNDY-UHFFFAOYSA-N
XLogP4.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179720
N-[2-(3-chlorophenyl)ethyl]-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180508
2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088785
6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109125564
N-butyl-5-[2-(3-chlorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109272422
N-[2-(3-chlorophenyl)ethyl]-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109126338
N-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194760
N-[2-(3-chlorophenyl)ethyl]-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
CID 109373286
N-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 113200400
N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443636
N-(3-chloro-4-fluorophenyl)-5-(dipropylamino)pyridine-2-carboxamide
CID 109196641
3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056265

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-5-(dipropylamino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-5-(dipropylamino)pyridine-2-carboxamide (CID 109196611) is N-[2-(3-chlorophenyl)ethyl]-5-(dipropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-5-(dipropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-5-(dipropylamino)pyridine-2-carboxamide is CCCN(CCC)c1ccc(C(=O)NCCc2cccc(Cl)c2)nc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-5-(dipropylamino)pyridine-2-carboxamide?
The InChIKey is OPFSHLPOTDLNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O/c1-3-12-24(13-4-2)18-8-9-19(23-15-18)20(25)22-11-10-16-6-5-7-17(21)14-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-5-(dipropylamino)pyridine-2-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-5-(dipropylamino)pyridine-2-carboxamide has a molecular weight of 359.90 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-5-(dipropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109196611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).