[5-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C19H24N4O2 — CID 109230077

IUPAC[5-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(CNc2cncc(C(=O)N3CCN(C)CC3)c2)cc1
InChIInChI=1S/C19H24N4O2/c1-22-7-9-23(10-8-22)19(24)16-11-17(14-20-13-16)21-12-15-3-5-18(25-2)6-4-15/h3-6,11,13-14,21H,7-10,12H2,1-2H3
InChIKeyYUYFZPDKOQNOJQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.09
Rot. Bonds5

About [5-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[5-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109230077) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [5-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109230077
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[5-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(CNc2cncc(C(=O)N3CCN(C)CC3)c2)cc1
InChIInChI=1S/C19H24N4O2/c1-22-7-9-23(10-8-22)19(24)16-11-17(14-20-13-16)21-12-15-3-5-18(25-2)6-4-15/h3-6,11,13-14,21H,7-10,12H2,1-2H3
InChIKeyYUYFZPDKOQNOJQ-UHFFFAOYSA-N
XLogP2.09
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[5-[(4-chlorophenyl)methylamino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231029
azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone
CID 109231844
[4-(4-methoxyphenyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-3-pyridinyl]methanone
CID 109228260
[5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone
CID 109231814
5-[(4-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109234472
[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226378
[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109227058
N-butyl-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109224372
N-[(4-fluorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104407
1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169022
(4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone
CID 109230416
N-(2,4-dimethylphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234506

Frequently Asked Questions

What is the IUPAC name of [5-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 109230077) is [5-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is COc1ccc(CNc2cncc(C(=O)N3CCN(C)CC3)c2)cc1.
What is the InChIKey of [5-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is YUYFZPDKOQNOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22-7-9-23(10-8-22)19(24)16-11-17(14-20-13-16)21-12-15-3-5-18(25-2)6-4-15/h3-6,11,13-14,21H,7-10,12H2,1-2H3.
What are the key properties of [5-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[5-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 340.43 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109230077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).