[5-[(3-methylphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C20H25N3O — CID 109227012

IUPAC[5-[(3-methylphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cccc(CNc2cncc(C(=O)N3CCC(C)CC3)c2)c1
InChIInChI=1S/C20H25N3O/c1-15-6-8-23(9-7-15)20(24)18-11-19(14-21-13-18)22-12-17-5-3-4-16(2)10-17/h3-5,10-11,13-15,22H,6-9,12H2,1-2H3
InChIKeySWULEHVIBAWGAV-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.87
Rot. Bonds4

About [5-[(3-methylphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[5-[(3-methylphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109227012) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [5-[(3-methylphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(3-methylphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109227012
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[5-[(3-methylphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cccc(CNc2cncc(C(=O)N3CCC(C)CC3)c2)c1
InChIInChI=1S/C20H25N3O/c1-15-6-8-23(9-7-15)20(24)18-11-19(14-21-13-18)22-12-17-5-3-4-16(2)10-17/h3-5,10-11,13-15,22H,6-9,12H2,1-2H3
InChIKeySWULEHVIBAWGAV-UHFFFAOYSA-N
XLogP3.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone
CID 109230416
azepan-1-yl-[5-(benzylamino)-3-pyridinyl]methanone
CID 109231844
N-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232386
[5-(4-ethylanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109227088
N-(4-methylphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232401
5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231789
N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232216
[5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone
CID 109231814
N-(1,1-dioxothiolan-3-yl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232371
[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109227058
[5-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109234661
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[5-[(4-bromophenyl)methylamino]-3-pyridinyl]methanone;trihydrochloride
CID 22266133

Frequently Asked Questions

What is the IUPAC name of [5-[(3-methylphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-[(3-methylphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 109227012) is [5-[(3-methylphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-[(3-methylphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-[(3-methylphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is Cc1cccc(CNc2cncc(C(=O)N3CCC(C)CC3)c2)c1.
What is the InChIKey of [5-[(3-methylphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is SWULEHVIBAWGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15-6-8-23(9-7-15)20(24)18-11-19(14-21-13-18)22-12-17-5-3-4-16(2)10-17/h3-5,10-11,13-15,22H,6-9,12H2,1-2H3.
What are the key properties of [5-[(3-methylphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[5-[(3-methylphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 323.44 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-methylphenyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109227012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).