8-(furan-2-ylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C18H16N4O2 — CID 53193825

IUPAC8-(furan-2-ylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(-c2cccnc2)nc2c1CCC(=O)N2Cc1ccco1
InChIInChI=1S/C18H16N4O2/c1-12-15-6-7-16(23)22(11-14-5-3-9-24-14)18(15)21-17(20-12)13-4-2-8-19-10-13/h2-5,8-10H,6-7,11H2,1H3
InChIKeyPCSCHTKFCYJFGE-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.92
Rot. Bonds3

About 8-(furan-2-ylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-(furan-2-ylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 53193825) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 8-(furan-2-ylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(furan-2-ylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID53193825
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name8-(furan-2-ylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(-c2cccnc2)nc2c1CCC(=O)N2Cc1ccco1
InChIInChI=1S/C18H16N4O2/c1-12-15-6-7-16(23)22(11-14-5-3-9-24-14)18(15)21-17(20-12)13-4-2-8-19-10-13/h2-5,8-10H,6-7,11H2,1H3
InChIKeyPCSCHTKFCYJFGE-UHFFFAOYSA-N
XLogP2.92
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-ylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(furan-2-ylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 53193825) is 8-(furan-2-ylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(furan-2-ylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(furan-2-ylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(-c2cccnc2)nc2c1CCC(=O)N2Cc1ccco1.
What is the InChIKey of 8-(furan-2-ylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PCSCHTKFCYJFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12-15-6-7-16(23)22(11-14-5-3-9-24-14)18(15)21-17(20-12)13-4-2-8-19-10-13/h2-5,8-10H,6-7,11H2,1H3.
What are the key properties of 8-(furan-2-ylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-(furan-2-ylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 320.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-ylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 53193825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).