6-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide

C15H22N4O2 — CID 81234441

IUPAC6-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cc(C)ncc1C(=O)NCC1CCC(=O)N1
InChIInChI=1S/C15H22N4O2/c1-3-6-16-13-7-10(2)17-9-12(13)15(21)18-8-11-4-5-14(20)19-11/h7,9,11H,3-6,8H2,1-2H3,(H,16,17)(H,18,21)(H,19,20)
InChIKeyARQXOBVKZZSQHM-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.22
Rot. Bonds6

About 6-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide

6-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide (PubChem CID 81234441) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
PubChem CID81234441
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name6-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cc(C)ncc1C(=O)NCC1CCC(=O)N1
InChIInChI=1S/C15H22N4O2/c1-3-6-16-13-7-10(2)17-9-12(13)15(21)18-8-11-4-5-14(20)19-11/h7,9,11H,3-6,8H2,1-2H3,(H,16,17)(H,18,21)(H,19,20)
InChIKeyARQXOBVKZZSQHM-UHFFFAOYSA-N
XLogP1.22
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide (CID 81234441) is 6-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide is CCCNc1cc(C)ncc1C(=O)NCC1CCC(=O)N1.
What is the InChIKey of 6-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is ARQXOBVKZZSQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-3-6-16-13-7-10(2)17-9-12(13)15(21)18-8-11-4-5-14(20)19-11/h7,9,11H,3-6,8H2,1-2H3,(H,16,17)(H,18,21)(H,19,20).
What are the key properties of 6-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide?
6-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81234441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).