N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide

C18H18Cl2N4O2 — CID 60609001

IUPACN-[4-(4-carbamoylpiperidin-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide
SMILESNC(=O)C1CCN(c2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2)CC1
InChIInChI=1S/C18H18Cl2N4O2/c19-15-9-12(10-22-16(15)20)18(26)23-13-1-3-14(4-2-13)24-7-5-11(6-8-24)17(21)25/h1-4,9-11H,5-8H2,(H2,21,25)(H,23,26)
InChIKeyFRVAJZXGGCUPJK-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.34
Rot. Bonds4

About N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide

N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide (PubChem CID 60609001) has the molecular formula C18H18Cl2N4O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-carbamoylpiperidin-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide
PubChem CID60609001
Molecular FormulaC18H18Cl2N4O2
Molecular Weight393.27 g/mol
Exact Mass392.08
IUPAC NameN-[4-(4-carbamoylpiperidin-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide
SMILESNC(=O)C1CCN(c2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2)CC1
InChIInChI=1S/C18H18Cl2N4O2/c19-15-9-12(10-22-16(15)20)18(26)23-13-1-3-14(4-2-13)24-7-5-11(6-8-24)17(21)25/h1-4,9-11H,5-8H2,(H2,21,25)(H,23,26)
InChIKeyFRVAJZXGGCUPJK-UHFFFAOYSA-N
XLogP3.34
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-chloropyridine-3-carboxamide
CID 60609243
N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7760364
5,6-dichloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 52545770
3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide
CID 807268
5-(4-carbamoylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid
CID 50782912
N-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331512
5,6-dichloro-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 2477549
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
N-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227284
N-(4-piperidin-1-ylphenyl)pyrido[2,3-b]pyrazine-7-carboxamide
CID 110862212
5,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 51985204

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide (CID 60609001) is N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide is NC(=O)C1CCN(c2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2)CC1.
What is the InChIKey of N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide?
The InChIKey is FRVAJZXGGCUPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2/c19-15-9-12(10-22-16(15)20)18(26)23-13-1-3-14(4-2-13)24-7-5-11(6-8-24)17(21)25/h1-4,9-11H,5-8H2,(H2,21,25)(H,23,26).
What are the key properties of N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide?
N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide has a molecular weight of 393.27 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 60609001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).