[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C19H24N4O — CID 109186259

IUPAC[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccccc1CNc1ccc(C(=O)N2CCN(C)CC2)nc1
InChIInChI=1S/C19H24N4O/c1-15-5-3-4-6-16(15)13-20-17-7-8-18(21-14-17)19(24)23-11-9-22(2)10-12-23/h3-8,14,20H,9-13H2,1-2H3
InChIKeyCEZISTZRRMVBTN-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.39
Rot. Bonds4

About [5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109186259) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109186259
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccccc1CNc1ccc(C(=O)N2CCN(C)CC2)nc1
InChIInChI=1S/C19H24N4O/c1-15-5-3-4-6-16(15)13-20-17-7-8-18(21-14-17)19(24)23-11-9-22(2)10-12-23/h3-8,14,20H,9-13H2,1-2H3
InChIKeyCEZISTZRRMVBTN-UHFFFAOYSA-N
XLogP2.39
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109188270
(4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109186273
1-[4-[2-[(2-methylphenyl)methylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254606
N-methyl-5-[(2-methylphenyl)methylamino]-N-phenylpyridine-2-carboxamide
CID 109188298
azepan-1-yl-[4-[(2-methylphenyl)methylamino]-2-pyridinyl]methanone
CID 109210082
N-(3-chloro-4-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188320
2-(2-methylphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 110664380
[5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109188000
N-(4-ethylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188308
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109188310
[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186401
[5-(3,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186413

Frequently Asked Questions

What is the IUPAC name of [5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 109186259) is [5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is Cc1ccccc1CNc1ccc(C(=O)N2CCN(C)CC2)nc1.
What is the InChIKey of [5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is CEZISTZRRMVBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-5-3-4-6-16(15)13-20-17-7-8-18(21-14-17)19(24)23-11-9-22(2)10-12-23/h3-8,14,20H,9-13H2,1-2H3.
What are the key properties of [5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 324.43 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109186259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).