[2-(methylamino)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C17H23N7O2 — CID 72912369

IUPAC[2-(methylamino)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(Cc1nc(C)no1)CC2
InChIInChI=1S/C17H23N7O2/c1-11-19-14(26-22-11)10-23-8-5-13-12(9-23)15(21-17(18-2)20-13)16(25)24-6-3-4-7-24/h3-10H2,1-2H3,(H,18,20,21)
InChIKeyUQRHSEQQZVKLFP-UHFFFAOYSA-N
MW357.42 g/mol
LogP1.00
Rot. Bonds4

About [2-(methylamino)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[2-(methylamino)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 72912369) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is [2-(methylamino)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(methylamino)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID72912369
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name[2-(methylamino)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCNc1nc2c(c(C(=O)N3CCCC3)n1)CN(Cc1nc(C)no1)CC2
InChIInChI=1S/C17H23N7O2/c1-11-19-14(26-22-11)10-23-8-5-13-12(9-23)15(21-17(18-2)20-13)16(25)24-6-3-4-7-24/h3-10H2,1-2H3,(H,18,20,21)
InChIKeyUQRHSEQQZVKLFP-UHFFFAOYSA-N
XLogP1.00
TPSA100.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(methylamino)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[6-[(4-fluorophenyl)methyl]-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 56889704
1-methyl-4-[[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]pyrrole-2-carbonitrile
CID 56914587
(2R)-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
CID 97190128
[6-(4-aminopyrimidin-2-yl)-2-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 72917927
furan-3-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34955899
methyl (3S)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 79038427
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559501
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 43414257
1,3-benzothiazol-6-yl-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 134699967
1-(azepan-1-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-one
CID 54903759
[(1S,3R)-3-aminocyclohexyl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 124696340
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
CID 126853112

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(methylamino)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 72912369) is [2-(methylamino)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(methylamino)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(methylamino)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is CNc1nc2c(c(C(=O)N3CCCC3)n1)CN(Cc1nc(C)no1)CC2.
What is the InChIKey of [2-(methylamino)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UQRHSEQQZVKLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-11-19-14(26-22-11)10-23-8-5-13-12(9-23)15(21-17(18-2)20-13)16(25)24-6-3-4-7-24/h3-10H2,1-2H3,(H,18,20,21).
What are the key properties of [2-(methylamino)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[2-(methylamino)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 357.42 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 72912369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).