3-methyl-4-[2-(propylamino)pyridine-3-carbonyl]piperazin-2-one

C14H20N4O2 — CID 63602847

IUPAC3-methyl-4-[2-(propylamino)pyridine-3-carbonyl]piperazin-2-one
SMILESCCCNc1ncccc1C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C14H20N4O2/c1-3-6-15-12-11(5-4-7-16-12)14(20)18-9-8-17-13(19)10(18)2/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyINCDCQWLDSIHGT-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.86
Rot. Bonds4

About 3-methyl-4-[2-(propylamino)pyridine-3-carbonyl]piperazin-2-one

3-methyl-4-[2-(propylamino)pyridine-3-carbonyl]piperazin-2-one (PubChem CID 63602847) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-methyl-4-[2-(propylamino)pyridine-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[2-(propylamino)pyridine-3-carbonyl]piperazin-2-one
PubChem CID63602847
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-methyl-4-[2-(propylamino)pyridine-3-carbonyl]piperazin-2-one
SMILESCCCNc1ncccc1C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C14H20N4O2/c1-3-6-15-12-11(5-4-7-16-12)14(20)18-9-8-17-13(19)10(18)2/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyINCDCQWLDSIHGT-UHFFFAOYSA-N
XLogP0.86
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172000
3-methyl-4-[6-(propylamino)pyridine-2-carbonyl]piperazin-2-one
CID 63600748
4-[2-(propylamino)pyridine-3-carbonyl]piperazine-2,6-dione
CID 66062042
(3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172051
4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one
CID 63607605
(3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one
CID 25283883
4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)-3-methylpiperazin-2-one
CID 105388346
4-(2,3-difluorobenzoyl)-3-methylpiperazin-2-one
CID 63373788
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(propylamino)-3-pyridinyl]methanone
CID 115561651
[4-(methoxymethyl)piperidin-1-yl]-[2-(propylamino)-3-pyridinyl]methanone
CID 63978079
2-(propylamino)pyridine-3-carboxylate
CID 22068597
3-methyl-4-(2-prop-2-enoxybenzoyl)piperazin-2-one
CID 63606558

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-(propylamino)pyridine-3-carbonyl]piperazin-2-one?
The IUPAC name of 3-methyl-4-[2-(propylamino)pyridine-3-carbonyl]piperazin-2-one (CID 63602847) is 3-methyl-4-[2-(propylamino)pyridine-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[2-(propylamino)pyridine-3-carbonyl]piperazin-2-one?
The canonical SMILES for 3-methyl-4-[2-(propylamino)pyridine-3-carbonyl]piperazin-2-one is CCCNc1ncccc1C(=O)N1CCNC(=O)C1C.
What is the InChIKey of 3-methyl-4-[2-(propylamino)pyridine-3-carbonyl]piperazin-2-one?
The InChIKey is INCDCQWLDSIHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-6-15-12-11(5-4-7-16-12)14(20)18-9-8-17-13(19)10(18)2/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,15,16)(H,17,19).
What are the key properties of 3-methyl-4-[2-(propylamino)pyridine-3-carbonyl]piperazin-2-one?
3-methyl-4-[2-(propylamino)pyridine-3-carbonyl]piperazin-2-one has a molecular weight of 276.34 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-(propylamino)pyridine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 63602847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).