N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide

C18H17Cl2N3O2 — CID 109081176

IUPACN-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cc(C(=O)N2CCCCC2)ccn1
InChIInChI=1S/C18H17Cl2N3O2/c19-13-5-4-6-14(20)16(13)22-17(24)15-11-12(7-8-21-15)18(25)23-9-2-1-3-10-23/h4-8,11H,1-3,9-10H2,(H,22,24)
InChIKeyYYJXYTWUGWYNLW-UHFFFAOYSA-N
MW378.26 g/mol
LogP4.27
Rot. Bonds3

About N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide

N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109081176) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109081176
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC NameN-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cc(C(=O)N2CCCCC2)ccn1
InChIInChI=1S/C18H17Cl2N3O2/c19-13-5-4-6-14(20)16(13)22-17(24)15-11-12(7-8-21-15)18(25)23-9-2-1-3-10-23/h4-8,11H,1-3,9-10H2,(H,22,24)
InChIKeyYYJXYTWUGWYNLW-UHFFFAOYSA-N
XLogP4.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide (CID 109081176) is N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide is O=C(Nc1c(Cl)cccc1Cl)c1cc(C(=O)N2CCCCC2)ccn1.
What is the InChIKey of N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is YYJXYTWUGWYNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c19-13-5-4-6-14(20)16(13)22-17(24)15-11-12(7-8-21-15)18(25)23-9-2-1-3-10-23/h4-8,11H,1-3,9-10H2,(H,22,24).
What are the key properties of N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide?
N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 378.26 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109081176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).