6-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile

C14H13N5O — CID 86772976

IUPAC6-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile
SMILESCOc1ncnc2c1CN(c1ccc(C#N)cn1)CC2
InChIInChI=1S/C14H13N5O/c1-20-14-11-8-19(5-4-12(11)17-9-18-14)13-3-2-10(6-15)7-16-13/h2-3,7,9H,4-5,8H2,1H3
InChIKeyPODPKPLCWFMTCH-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.31
Rot. Bonds2

About 6-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile

6-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile (PubChem CID 86772976) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 6-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile
PubChem CID86772976
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name6-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile
SMILESCOc1ncnc2c1CN(c1ccc(C#N)cn1)CC2
InChIInChI=1S/C14H13N5O/c1-20-14-11-8-19(5-4-12(11)17-9-18-14)13-3-2-10(6-15)7-16-13/h2-3,7,9H,4-5,8H2,1H3
InChIKeyPODPKPLCWFMTCH-UHFFFAOYSA-N
XLogP1.31
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile (CID 86772976) is 6-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile is COc1ncnc2c1CN(c1ccc(C#N)cn1)CC2.
What is the InChIKey of 6-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile?
The InChIKey is PODPKPLCWFMTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-20-14-11-8-19(5-4-12(11)17-9-18-14)13-3-2-10(6-15)7-16-13/h2-3,7,9H,4-5,8H2,1H3.
What are the key properties of 6-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile?
6-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile has a molecular weight of 267.29 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 86772976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).