4-[6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carbonyl]piperazine-1-carbaldehyde

C20H24N4O3 — CID 109154990

IUPAC4-[6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carbonyl]piperazine-1-carbaldehyde
SMILESCOc1ccc(CCNc2ccc(C(=O)N3CCN(C=O)CC3)cn2)cc1
InChIInChI=1S/C20H24N4O3/c1-27-18-5-2-16(3-6-18)8-9-21-19-7-4-17(14-22-19)20(26)24-12-10-23(15-25)11-13-24/h2-7,14-15H,8-13H2,1H3,(H,21,22)
InChIKeyRXMPBZVQANOSON-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.66
Rot. Bonds7

About 4-[6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carbonyl]piperazine-1-carbaldehyde

4-[6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109154990) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carbonyl]piperazine-1-carbaldehyde
PubChem CID109154990
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-[6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carbonyl]piperazine-1-carbaldehyde
SMILESCOc1ccc(CCNc2ccc(C(=O)N3CCN(C=O)CC3)cn2)cc1
InChIInChI=1S/C20H24N4O3/c1-27-18-5-2-16(3-6-18)8-9-21-19-7-4-17(14-22-19)20(26)24-12-10-23(15-25)11-13-24/h2-7,14-15H,8-13H2,1H3,(H,21,22)
InChIKeyRXMPBZVQANOSON-UHFFFAOYSA-N
XLogP1.66
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109155000
[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109153778
3-(4-formylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-3-oxopropanamide
CID 108944698
4-[6-[2-(4-methoxyphenoxy)ethylamino]-2-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109367610
ethyl 4-[6-(3-phenylpropylamino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109160302
N-(2-ethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109159006
N-(4-chlorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109159015
6-[2-(4-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158114
N-butyl-6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridine-3-carboxamide
CID 109158989
6-[2-(4-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158980
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 109151195
[6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 60722911

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carbonyl]piperazine-1-carbaldehyde (CID 109154990) is 4-[6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carbonyl]piperazine-1-carbaldehyde is COc1ccc(CCNc2ccc(C(=O)N3CCN(C=O)CC3)cn2)cc1.
What is the InChIKey of 4-[6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is RXMPBZVQANOSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-27-18-5-2-16(3-6-18)8-9-21-19-7-4-17(14-22-19)20(26)24-12-10-23(15-25)11-13-24/h2-7,14-15H,8-13H2,1H3,(H,21,22).
What are the key properties of 4-[6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carbonyl]piperazine-1-carbaldehyde?
4-[6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 368.44 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109154990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).