5-chloro-N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-carboxamide

C14H19ClN4O2 — CID 62181828

IUPAC5-chloro-N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)NC2CCCNC2=O)cc1Cl
InChIInChI=1S/C14H19ClN4O2/c1-2-5-16-12-10(15)7-9(8-18-12)13(20)19-11-4-3-6-17-14(11)21/h7-8,11H,2-6H2,1H3,(H,16,18)(H,17,21)(H,19,20)
InChIKeyWKBGVHJHGZJQHA-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.57
Rot. Bonds5

About 5-chloro-N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-carboxamide

5-chloro-N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-carboxamide (PubChem CID 62181828) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is 5-chloro-N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-carboxamide
PubChem CID62181828
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name5-chloro-N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)NC2CCCNC2=O)cc1Cl
InChIInChI=1S/C14H19ClN4O2/c1-2-5-16-12-10(15)7-9(8-18-12)13(20)19-11-4-3-6-17-14(11)21/h7-8,11H,2-6H2,1H3,(H,16,18)(H,17,21)(H,19,20)
InChIKeyWKBGVHJHGZJQHA-UHFFFAOYSA-N
XLogP1.57
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-carboxamide (CID 62181828) is 5-chloro-N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-carboxamide is CCCNc1ncc(C(=O)NC2CCCNC2=O)cc1Cl.
What is the InChIKey of 5-chloro-N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-carboxamide?
The InChIKey is WKBGVHJHGZJQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-2-5-16-12-10(15)7-9(8-18-12)13(20)19-11-4-3-6-17-14(11)21/h7-8,11H,2-6H2,1H3,(H,16,18)(H,17,21)(H,19,20).
What are the key properties of 5-chloro-N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-carboxamide?
5-chloro-N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-carboxamide has a molecular weight of 310.79 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62181828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).