N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-chloropyridine-3-carboxamide

C18H19ClN4O2 — CID 60609243

IUPACN-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-chloropyridine-3-carboxamide
SMILESNC(=O)C1CCN(c2ccc(NC(=O)c3cccnc3Cl)cc2)CC1
InChIInChI=1S/C18H19ClN4O2/c19-16-15(2-1-9-21-16)18(25)22-13-3-5-14(6-4-13)23-10-7-12(8-11-23)17(20)24/h1-6,9,12H,7-8,10-11H2,(H2,20,24)(H,22,25)
InChIKeyRJSUIXNYGOXHIN-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.69
Rot. Bonds4

About N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-chloropyridine-3-carboxamide

N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-chloropyridine-3-carboxamide (PubChem CID 60609243) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-chloropyridine-3-carboxamide
PubChem CID60609243
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC NameN-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-chloropyridine-3-carboxamide
SMILESNC(=O)C1CCN(c2ccc(NC(=O)c3cccnc3Cl)cc2)CC1
InChIInChI=1S/C18H19ClN4O2/c19-16-15(2-1-9-21-16)18(25)22-13-3-5-14(6-4-13)23-10-7-12(8-11-23)17(20)24/h1-6,9,12H,7-8,10-11H2,(H2,20,24)(H,22,25)
InChIKeyRJSUIXNYGOXHIN-UHFFFAOYSA-N
XLogP2.69
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.69
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

2-chloro-N-[4-[(2S)-2-methylpiperidin-1-yl]phenyl]pyridine-3-carboxamide
CID 40922123
N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide
CID 60609001
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 2-chloropyridine-3-carboxylate
CID 26745917
N-(4-bromophenyl)-2-chloropyridine-3-carboxamide
CID 4604195
2-(dimethylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide
CID 110299291
2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 82545859
2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 84575067
N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-1H-indazole-3-carboxamide
CID 51129949
2-(dimethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110299290
2-chloro-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 4063614
N-[4-(azepan-1-yl)phenyl]-4-(3-chloro-2-pyridinyl)benzamide
CID 11153979
N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 110862074

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-chloropyridine-3-carboxamide?
The IUPAC name of N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-chloropyridine-3-carboxamide (CID 60609243) is N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-chloropyridine-3-carboxamide is NC(=O)C1CCN(c2ccc(NC(=O)c3cccnc3Cl)cc2)CC1.
What is the InChIKey of N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-chloropyridine-3-carboxamide?
The InChIKey is RJSUIXNYGOXHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c19-16-15(2-1-9-21-16)18(25)22-13-3-5-14(6-4-13)23-10-7-12(8-11-23)17(20)24/h1-6,9,12H,7-8,10-11H2,(H2,20,24)(H,22,25).
What are the key properties of N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-chloropyridine-3-carboxamide?
N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-chloropyridine-3-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 2.69, 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]-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 60609243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).