[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone

C22H30N4O3 — CID 109208435

IUPAC[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(NCCc3ccc(OC)c(OC)c3)ccn2)CC1
InChIInChI=1S/C22H30N4O3/c1-4-25-11-13-26(14-12-25)22(27)19-16-18(8-10-24-19)23-9-7-17-5-6-20(28-2)21(15-17)29-3/h5-6,8,10,15-16H,4,7,9,11-14H2,1-3H3,(H,23,24)
InChIKeyIFJZWOJQWONNLU-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.53
Rot. Bonds8

About [4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone

[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 109208435) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is [4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID109208435
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(NCCc3ccc(OC)c(OC)c3)ccn2)CC1
InChIInChI=1S/C22H30N4O3/c1-4-25-11-13-26(14-12-25)22(27)19-16-18(8-10-24-19)23-9-7-17-5-6-20(28-2)21(15-17)29-3/h5-6,8,10,15-16H,4,7,9,11-14H2,1-3H3,(H,23,24)
InChIKeyIFJZWOJQWONNLU-UHFFFAOYSA-N
XLogP2.53
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206428
(4-ethylpiperazin-1-yl)-[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
CID 109208424
[5-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109278454
[4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204409
[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208083
4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202900
azepan-1-yl-[4-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109214460
[4-(3,5-dichloroanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208539
methyl 2-[[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109208518
[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205101
[6-[2-(3,4-dimethoxyphenyl)ethylamino]-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367043
[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109214584

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone (CID 109208435) is [4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc(NCCc3ccc(OC)c(OC)c3)ccn2)CC1.
What is the InChIKey of [4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is IFJZWOJQWONNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-4-25-11-13-26(14-12-25)22(27)19-16-18(8-10-24-19)23-9-7-17-5-6-20(28-2)21(15-17)29-3/h5-6,8,10,15-16H,4,7,9,11-14H2,1-3H3,(H,23,24).
What are the key properties of [4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 398.51 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 109208435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).