(2-methylcyclopropyl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone

C18H22N4O — CID 110237617

IUPAC(2-methylcyclopropyl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCc1nc(C2CCCN(C(=O)C3CC3C)C2)c2cccnc2n1
InChIInChI=1S/C18H22N4O/c1-11-9-15(11)18(23)22-8-4-5-13(10-22)16-14-6-3-7-19-17(14)21-12(2)20-16/h3,6-7,11,13,15H,4-5,8-10H2,1-2H3
InChIKeyZUJIVGQXTKCDSH-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.70
Rot. Bonds2

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

(2-methylcyclopropyl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 110237617) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (2-methylcyclopropyl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylcyclopropyl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID110237617
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(2-methylcyclopropyl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCc1nc(C2CCCN(C(=O)C3CC3C)C2)c2cccnc2n1
InChIInChI=1S/C18H22N4O/c1-11-9-15(11)18(23)22-8-4-5-13(10-22)16-14-6-3-7-19-17(14)21-12(2)20-16/h3,6-7,11,13,15H,4-5,8-10H2,1-2H3
InChIKeyZUJIVGQXTKCDSH-UHFFFAOYSA-N
XLogP2.70
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 110237598
1-[(3S)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 92564198
(5-ethyl-1,2-oxazol-3-yl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone
CID 110237619
2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide
CID 95856590
[(1S,2S)-2-methylcyclopropyl]-[4-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 92583314
2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-[4-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]ethanone
CID 110237585
cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110253739
cyclopropyl-[(3R)-3-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95853849
cyclopentyl-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 46965157
2-[4,6-dimethyl-2-[(3R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 126417090
(3-hydroxypiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 43415684
7-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]-6H-1,6-naphthyridin-5-one
CID 92583326

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methylcyclopropyl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone (CID 110237617) is (2-methylcyclopropyl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylcyclopropyl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methylcyclopropyl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone is Cc1nc(C2CCCN(C(=O)C3CC3C)C2)c2cccnc2n1.
What is the InChIKey of (2-methylcyclopropyl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is ZUJIVGQXTKCDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-11-9-15(11)18(23)22-8-4-5-13(10-22)16-14-6-3-7-19-17(14)21-12(2)20-16/h3,6-7,11,13,15H,4-5,8-10H2,1-2H3.
What are the key properties of (2-methylcyclopropyl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone?
(2-methylcyclopropyl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 310.40 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110237617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).