[5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone

C13H20N4O — CID 63722502

IUPAC[5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(CN)cn2)CC1
InChIInChI=1S/C13H20N4O/c1-2-16-5-7-17(8-6-16)13(18)12-4-3-11(9-14)10-15-12/h3-4,10H,2,5-9,14H2,1H3
InChIKeyNSFGCEZUFQIXBG-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.32
Rot. Bonds3

About [5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone

[5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 63722502) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is [5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID63722502
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name[5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2ccc(CN)cn2)CC1
InChIInChI=1S/C13H20N4O/c1-2-16-5-7-17(8-6-16)13(18)12-4-3-11(9-14)10-15-12/h3-4,10H,2,5-9,14H2,1H3
InChIKeyNSFGCEZUFQIXBG-UHFFFAOYSA-N
XLogP0.32
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(aminomethyl)-2-pyridinyl]-morpholin-4-ylmethanone
CID 63723014
[5-(aminomethyl)-2-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 63724908
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone
CID 109186689
(4-ethylpiperazin-1-yl)-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]methanone
CID 109186613
[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186615
[5-(aminomethyl)-2-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63724060
[5-(3,4-difluoroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186753
(4-ethylpiperazin-1-yl)-[5-(3-methoxypropylamino)-2-pyridinyl]methanone
CID 109184383
1-[5-(aminomethyl)pyridine-2-carbonyl]piperidine-3-carboxamide
CID 63724885
6-[4-(aminomethyl)piperazine-1-carbonyl]-N-methylpyridine-3-carboxamide
CID 168923375
aziridin-1-yl-(5-methyl-2-pyridinyl)methanone
CID 126996011
(4-ethylpiperazin-1-yl)-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
CID 109186751

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone (CID 63722502) is [5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2ccc(CN)cn2)CC1.
What is the InChIKey of [5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is NSFGCEZUFQIXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-16-5-7-17(8-6-16)13(18)12-4-3-11(9-14)10-15-12/h3-4,10H,2,5-9,14H2,1H3.
What are the key properties of [5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
[5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 63722502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).