[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone

C24H25ClN4O — CID 92616594

IUPAC[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cc(C(=O)N2CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC2)ccn1
InChIInChI=1S/C24H25ClN4O/c1-26-23-15-20(7-10-27-23)24(30)29-11-8-19(9-12-29)22-6-5-18(16-28-22)13-17-3-2-4-21(25)14-17/h2-7,10,14-16,19H,8-9,11-13H2,1H3,(H,26,27)
InChIKeyBTHVZQQLNNUFLD-UHFFFAOYSA-N
MW420.94 g/mol
LogP4.78
Rot. Bonds5

About [4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone

[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone (PubChem CID 92616594) has the molecular formula C24H25ClN4O and a molecular weight of 420.94 g/mol. Its IUPAC name is [4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
PubChem CID92616594
Molecular FormulaC24H25ClN4O
Molecular Weight420.94 g/mol
Exact Mass420.17
IUPAC Name[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cc(C(=O)N2CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC2)ccn1
InChIInChI=1S/C24H25ClN4O/c1-26-23-15-20(7-10-27-23)24(30)29-11-8-19(9-12-29)22-6-5-18(16-28-22)13-17-3-2-4-21(25)14-17/h2-7,10,14-16,19H,8-9,11-13H2,1H3,(H,26,27)
InChIKeyBTHVZQQLNNUFLD-UHFFFAOYSA-N
XLogP4.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone with MolForge

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Related Compounds

[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 92616651
1-[(2S)-1-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-oxopropan-2-yl]pyrrolidin-2-one
CID 92616666
3-(3-chlorophenyl)-2-methyl-1-[4-[5-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 110093423
1-[4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169047
4-[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine
CID 110093384
5-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholine-4-carbonyl]-1-methylpyridin-2-one
CID 127250237
[2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62181147
[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 110093431
4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168856
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 92616678
[2-(methylamino)-4-pyridinyl]-(2-methylpiperidin-1-yl)methanone
CID 62172868

Frequently Asked Questions

What is the IUPAC name of [4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The IUPAC name of [4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone (CID 92616594) is [4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone.
What is the SMILES notation for [4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The canonical SMILES for [4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone is CNc1cc(C(=O)N2CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC2)ccn1.
What is the InChIKey of [4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
The InChIKey is BTHVZQQLNNUFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O/c1-26-23-15-20(7-10-27-23)24(30)29-11-8-19(9-12-29)22-6-5-18(16-28-22)13-17-3-2-4-21(25)14-17/h2-7,10,14-16,19H,8-9,11-13H2,1H3,(H,26,27).
What are the key properties of [4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone?
[4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone has a molecular weight of 420.94 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 92616594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).