2-[(2-methoxy-3-pyridinyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone

C14H22N4O2 — CID 60858022

IUPAC2-[(2-methoxy-3-pyridinyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ncccc1CNCC(=O)N1CCN(C)CC1
InChIInChI=1S/C14H22N4O2/c1-17-6-8-18(9-7-17)13(19)11-15-10-12-4-3-5-16-14(12)20-2/h3-5,15H,6-11H2,1-2H3
InChIKeyUUCJTJWUDCIRFR-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.05
Rot. Bonds5

About 2-[(2-methoxy-3-pyridinyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone

2-[(2-methoxy-3-pyridinyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 60858022) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[(2-methoxy-3-pyridinyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(2-methoxy-3-pyridinyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID60858022
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[(2-methoxy-3-pyridinyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ncccc1CNCC(=O)N1CCN(C)CC1
InChIInChI=1S/C14H22N4O2/c1-17-6-8-18(9-7-17)13(19)11-15-10-12-4-3-5-16-14(12)20-2/h3-5,15H,6-11H2,1-2H3
InChIKeyUUCJTJWUDCIRFR-UHFFFAOYSA-N
XLogP-0.05
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azepan-1-yl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanone
CID 60859816
1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 60762093
N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515582
2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
CID 115461656
1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
methyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate
CID 115537166
2-[(2-methylphenyl)methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108996536
2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 28570278
1-(azepan-1-yl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanone
CID 82738475
4-[(2-methoxy-3-pyridinyl)methylamino]butanoic acid
CID 60859167
methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate
CID 61375172

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-3-pyridinyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(2-methoxy-3-pyridinyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone (CID 60858022) is 2-[(2-methoxy-3-pyridinyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(2-methoxy-3-pyridinyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(2-methoxy-3-pyridinyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone is COc1ncccc1CNCC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-[(2-methoxy-3-pyridinyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is UUCJTJWUDCIRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-17-6-8-18(9-7-17)13(19)11-15-10-12-4-3-5-16-14(12)20-2/h3-5,15H,6-11H2,1-2H3.
What are the key properties of 2-[(2-methoxy-3-pyridinyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[(2-methoxy-3-pyridinyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 278.36 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-3-pyridinyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 60858022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).