2-(1-methylpiperidin-3-yl)-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C19H25N5 — CID 110241424

IUPAC2-(1-methylpiperidin-3-yl)-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCN1CCCC(c2ncc3c(n2)CCN(Cc2cccnc2)C3)C1
InChIInChI=1S/C19H25N5/c1-23-8-3-5-16(13-23)19-21-11-17-14-24(9-6-18(17)22-19)12-15-4-2-7-20-10-15/h2,4,7,10-11,16H,3,5-6,8-9,12-14H2,1H3
InChIKeyKZJJUCAWRKVMCO-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.24
Rot. Bonds3

About 2-(1-methylpiperidin-3-yl)-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-(1-methylpiperidin-3-yl)-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 110241424) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID110241424
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name2-(1-methylpiperidin-3-yl)-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCN1CCCC(c2ncc3c(n2)CCN(Cc2cccnc2)C3)C1
InChIInChI=1S/C19H25N5/c1-23-8-3-5-16(13-23)19-21-11-17-14-24(9-6-18(17)22-19)12-15-4-2-7-20-10-15/h2,4,7,10-11,16H,3,5-6,8-9,12-14H2,1H3
InChIKeyKZJJUCAWRKVMCO-UHFFFAOYSA-N
XLogP2.24
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-methylpiperidin-3-yl)-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

6-(cyclohexylmethyl)-2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 110241435
1-[2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-phenylpropan-1-one
CID 110241432
1-[(3R)-3-[6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92549101
1-[(3S)-3-[6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95850664
2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929927
2-cyclohexyl-6-[(2,6-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929003
2-cyclopropyl-6-[(2-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917677
4-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 110253776
1-[(3R)-3-[6-[(3-fluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 92548939
2-cyclopropyl-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930113
2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 115039114
2-cyclohexyl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917302

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(1-methylpiperidin-3-yl)-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 110241424) is 2-(1-methylpiperidin-3-yl)-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CN1CCCC(c2ncc3c(n2)CCN(Cc2cccnc2)C3)C1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is KZJJUCAWRKVMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-23-8-3-5-16(13-23)19-21-11-17-14-24(9-6-18(17)22-19)12-15-4-2-7-20-10-15/h2,4,7,10-11,16H,3,5-6,8-9,12-14H2,1H3.
What are the key properties of 2-(1-methylpiperidin-3-yl)-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-(1-methylpiperidin-3-yl)-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 323.44 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 110241424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).