1-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-2-pyridin-2-ylethanone

C20H21N5O — CID 110237598

IUPAC1-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
SMILESCc1nc(C2CCCN(C(=O)Cc3ccccn3)C2)c2cccnc2n1
InChIInChI=1S/C20H21N5O/c1-14-23-19(17-8-4-10-22-20(17)24-14)15-6-5-11-25(13-15)18(26)12-16-7-2-3-9-21-16/h2-4,7-10,15H,5-6,11-13H2,1H3
InChIKeyBXZWRCSBQHKDHD-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.68
Rot. Bonds3

About 1-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-2-pyridin-2-ylethanone

1-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 110237598) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
PubChem CID110237598
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name1-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
SMILESCc1nc(C2CCCN(C(=O)Cc3ccccn3)C2)c2cccnc2n1
InChIInChI=1S/C20H21N5O/c1-14-23-19(17-8-4-10-22-20(17)24-14)15-6-5-11-25(13-15)18(26)12-16-7-2-3-9-21-16/h2-4,7-10,15H,5-6,11-13H2,1H3
InChIKeyBXZWRCSBQHKDHD-UHFFFAOYSA-N
XLogP2.68
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-2-pyridin-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3S)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 92564198
(2-methylcyclopropyl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone
CID 110237617
1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 99973517
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
(5-ethyl-1,2-oxazol-3-yl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone
CID 110237619
1-[(3S)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95809803
1-[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95819091
1-[3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 110255036
1-[(3S)-3-[3-(2-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95819094
1-[(3R)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 95809810
3-methyl-4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110217928
1-[(3R)-3-(5-anilino-2,3-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 92598243

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-2-pyridin-2-ylethanone (CID 110237598) is 1-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-2-pyridin-2-ylethanone is Cc1nc(C2CCCN(C(=O)Cc3ccccn3)C2)c2cccnc2n1.
What is the InChIKey of 1-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is BXZWRCSBQHKDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-23-19(17-8-4-10-22-20(17)24-14)15-6-5-11-25(13-15)18(26)12-16-7-2-3-9-21-16/h2-4,7-10,15H,5-6,11-13H2,1H3.
What are the key properties of 1-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-2-pyridin-2-ylethanone?
1-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 347.42 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 110237598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).