N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide

C13H17ClN4O2 — CID 60707818

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)c2cc(Cl)ccn2)CC1
InChIInChI=1S/C13H17ClN4O2/c14-9-1-4-16-11(7-9)13(20)17-10-2-5-18(6-3-10)8-12(15)19/h1,4,7,10H,2-3,5-6,8H2,(H2,15,19)(H,17,20)
InChIKeyNYSSSDHERWDEJM-UHFFFAOYSA-N
MW296.76 g/mol
LogP0.41
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide (PubChem CID 60707818) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide
PubChem CID60707818
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)c2cc(Cl)ccn2)CC1
InChIInChI=1S/C13H17ClN4O2/c14-9-1-4-16-11(7-9)13(20)17-10-2-5-18(6-3-10)8-12(15)19/h1,4,7,10H,2-3,5-6,8H2,(H2,15,19)(H,17,20)
InChIKeyNYSSSDHERWDEJM-UHFFFAOYSA-N
XLogP0.41
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide (CID 60707818) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide is NC(=O)CN1CCC(NC(=O)c2cc(Cl)ccn2)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide?
The InChIKey is NYSSSDHERWDEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c14-9-1-4-16-11(7-9)13(20)17-10-2-5-18(6-3-10)8-12(15)19/h1,4,7,10H,2-3,5-6,8H2,(H2,15,19)(H,17,20).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide has a molecular weight of 296.76 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide is sourced from PubChem (CID 60707818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).