1-[2-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

C21H28N6O — CID 110240512

IUPAC1-[2-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCNc1ncccc1CN1CCCCC1c1ncc2c(n1)CCN(C(C)=O)C2
InChIInChI=1S/C21H28N6O/c1-15(28)26-11-8-18-17(14-26)12-24-21(25-18)19-7-3-4-10-27(19)13-16-6-5-9-23-20(16)22-2/h5-6,9,12,19H,3-4,7-8,10-11,13-14H2,1-2H3,(H,22,23)
InChIKeyQVONIGGHHFOAHQ-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.55
Rot. Bonds4

About 1-[2-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone

1-[2-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (PubChem CID 110240512) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 1-[2-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
PubChem CID110240512
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name1-[2-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
SMILESCNc1ncccc1CN1CCCCC1c1ncc2c(n1)CCN(C(C)=O)C2
InChIInChI=1S/C21H28N6O/c1-15(28)26-11-8-18-17(14-26)12-24-21(25-18)19-7-3-4-10-27(19)13-16-6-5-9-23-20(16)22-2/h5-6,9,12,19H,3-4,7-8,10-11,13-14H2,1-2H3,(H,22,23)
InChIKeyQVONIGGHHFOAHQ-UHFFFAOYSA-N
XLogP2.55
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[2-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone (CID 110240512) is 1-[2-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[2-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[2-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is CNc1ncccc1CN1CCCCC1c1ncc2c(n1)CCN(C(C)=O)C2.
What is the InChIKey of 1-[2-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is QVONIGGHHFOAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-15(28)26-11-8-18-17(14-26)12-24-21(25-18)19-7-3-4-10-27(19)13-16-6-5-9-23-20(16)22-2/h5-6,9,12,19H,3-4,7-8,10-11,13-14H2,1-2H3,(H,22,23).
What are the key properties of 1-[2-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone?
1-[2-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 380.50 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 110240512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).