3-amino-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide

C16H15ClN4O2 — CID 127046204

IUPAC3-amino-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1
InChIInChI=1S/C16H15ClN4O2/c17-11-9-10(5-6-13(11)21-8-2-4-14(21)22)20-16(23)15-12(18)3-1-7-19-15/h1,3,5-7,9H,2,4,8,18H2,(H,20,23)
InChIKeyIDYFBSUTCWBHIY-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.70
Rot. Bonds3

About 3-amino-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide

3-amino-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide (PubChem CID 127046204) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide
PubChem CID127046204
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name3-amino-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1
InChIInChI=1S/C16H15ClN4O2/c17-11-9-10(5-6-13(11)21-8-2-4-14(21)22)20-16(23)15-12(18)3-1-7-19-15/h1,3,5-7,9H,2,4,8,18H2,(H,20,23)
InChIKeyIDYFBSUTCWBHIY-UHFFFAOYSA-N
XLogP2.70
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide (CID 127046204) is 3-amino-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide is Nc1cccnc1C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1.
What is the InChIKey of 3-amino-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is IDYFBSUTCWBHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c17-11-9-10(5-6-13(11)21-8-2-4-14(21)22)20-16(23)15-12(18)3-1-7-19-15/h1,3,5-7,9H,2,4,8,18H2,(H,20,23).
What are the key properties of 3-amino-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide?
3-amino-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 330.78 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 127046204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).