N-[[6-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-1H-pyridin-3-yl]methyl]aziridine-1-carboxamide

C15H23N5O2 — CID 144654863

IUPACN-[[6-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-1H-pyridin-3-yl]methyl]aziridine-1-carboxamide
SMILESCc1cc(=O)c(CNC(=O)N2CC2)c(N2CCN(C)CC2)[nH]1
InChIInChI=1S/C15H23N5O2/c1-11-9-13(21)12(10-16-15(22)20-7-8-20)14(17-11)19-5-3-18(2)4-6-19/h9H,3-8,10H2,1-2H3,(H,16,22)(H,17,21)
InChIKeyWDFJLVAXNQMCSW-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.04
Rot. Bonds3

About N-[[6-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-1H-pyridin-3-yl]methyl]aziridine-1-carboxamide

N-[[6-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-1H-pyridin-3-yl]methyl]aziridine-1-carboxamide (PubChem CID 144654863) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[[6-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-1H-pyridin-3-yl]methyl]aziridine-1-carboxamide.

Molecular Properties

Compound NameN-[[6-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-1H-pyridin-3-yl]methyl]aziridine-1-carboxamide
PubChem CID144654863
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-[[6-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-1H-pyridin-3-yl]methyl]aziridine-1-carboxamide
SMILESCc1cc(=O)c(CNC(=O)N2CC2)c(N2CCN(C)CC2)[nH]1
InChIInChI=1S/C15H23N5O2/c1-11-9-13(21)12(10-16-15(22)20-7-8-20)14(17-11)19-5-3-18(2)4-6-19/h9H,3-8,10H2,1-2H3,(H,16,22)(H,17,21)
InChIKeyWDFJLVAXNQMCSW-UHFFFAOYSA-N
XLogP-0.04
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 95976098
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
ethane;N-ethyl-4-methylpiperazine-1-carboxamide
CID 162757758
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121990
N-[(2,4-dichloro-6-methylphenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 121496893
N-(2,2-dimethylpropyl)-4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]piperazine-1-carboxamide
CID 110813184
4-(4-methyl-1,3-thiazol-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxamide
CID 56800130
N-[(2-methyl-1H-indol-6-yl)methyl]pyrrolidine-1-carboxamide
CID 155961051
3-(4-methylpiperazin-1-yl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]propanamide
CID 112536415
(3S)-3-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 97003239
N-[4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1,3-benzodioxol-4-yl]phenyl]-4-methylpiperazine-1-carboxamide
CID 172895826
N-but-2-ynyl-4-methylpiperazine-1-carboxamide
CID 143657710

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-1H-pyridin-3-yl]methyl]aziridine-1-carboxamide?
The IUPAC name of N-[[6-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-1H-pyridin-3-yl]methyl]aziridine-1-carboxamide (CID 144654863) is N-[[6-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-1H-pyridin-3-yl]methyl]aziridine-1-carboxamide.
What is the SMILES notation for N-[[6-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-1H-pyridin-3-yl]methyl]aziridine-1-carboxamide?
The canonical SMILES for N-[[6-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-1H-pyridin-3-yl]methyl]aziridine-1-carboxamide is Cc1cc(=O)c(CNC(=O)N2CC2)c(N2CCN(C)CC2)[nH]1.
What is the InChIKey of N-[[6-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-1H-pyridin-3-yl]methyl]aziridine-1-carboxamide?
The InChIKey is WDFJLVAXNQMCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-11-9-13(21)12(10-16-15(22)20-7-8-20)14(17-11)19-5-3-18(2)4-6-19/h9H,3-8,10H2,1-2H3,(H,16,22)(H,17,21).
What are the key properties of N-[[6-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-1H-pyridin-3-yl]methyl]aziridine-1-carboxamide?
N-[[6-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-1H-pyridin-3-yl]methyl]aziridine-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-2-(4-methylpiperazin-1-yl)-4-oxo-1H-pyridin-3-yl]methyl]aziridine-1-carboxamide is sourced from PubChem (CID 144654863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).