[2-(3-methoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone

C20H19N5O2 — CID 118970908

IUPAC[2-(3-methoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone
SMILESCOc1cccc(Nc2ncc3c(n2)CCN(C(=O)c2cccnc2)C3)c1
InChIInChI=1S/C20H19N5O2/c1-27-17-6-2-5-16(10-17)23-20-22-12-15-13-25(9-7-18(15)24-20)19(26)14-4-3-8-21-11-14/h2-6,8,10-12H,7,9,13H2,1H3,(H,22,23,24)
InChIKeyDLKAXDLQBNNVLC-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.82
Rot. Bonds4

About [2-(3-methoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone

[2-(3-methoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone (PubChem CID 118970908) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone
PubChem CID118970908
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name[2-(3-methoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone
SMILESCOc1cccc(Nc2ncc3c(n2)CCN(C(=O)c2cccnc2)C3)c1
InChIInChI=1S/C20H19N5O2/c1-27-17-6-2-5-16(10-17)23-20-22-12-15-13-25(9-7-18(15)24-20)19(26)14-4-3-8-21-11-14/h2-6,8,10-12H,7,9,13H2,1H3,(H,22,23,24)
InChIKeyDLKAXDLQBNNVLC-UHFFFAOYSA-N
XLogP2.82
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(3-methoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone (CID 118970908) is [2-(3-methoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(3-methoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(3-methoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone is COc1cccc(Nc2ncc3c(n2)CCN(C(=O)c2cccnc2)C3)c1.
What is the InChIKey of [2-(3-methoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone?
The InChIKey is DLKAXDLQBNNVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-27-17-6-2-5-16(10-17)23-20-22-12-15-13-25(9-7-18(15)24-20)19(26)14-4-3-8-21-11-14/h2-6,8,10-12H,7,9,13H2,1H3,(H,22,23,24).
What are the key properties of [2-(3-methoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone?
[2-(3-methoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone has a molecular weight of 361.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 118970908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).