7-amino-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile

C14H11N5O2 — CID 134153755

IUPAC7-amino-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#CC1=C(N)Nc2[nH]c(=O)[nH]c(=O)c2C1c1ccccc1
InChIInChI=1S/C14H11N5O2/c15-6-8-9(7-4-2-1-3-5-7)10-12(17-11(8)16)18-14(21)19-13(10)20/h1-5,9H,16H2,(H3,17,18,19,20,21)
InChIKeyMWEIRBYUVPKOKA-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.31
Rot. Bonds1

About 7-amino-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile

7-amino-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 134153755) has the molecular formula C14H11N5O2 and a molecular weight of 281.27 g/mol. Its IUPAC name is 7-amino-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID134153755
Molecular FormulaC14H11N5O2
Molecular Weight281.27 g/mol
Exact Mass281.09
IUPAC Name7-amino-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#CC1=C(N)Nc2[nH]c(=O)[nH]c(=O)c2C1c1ccccc1
InChIInChI=1S/C14H11N5O2/c15-6-8-9(7-4-2-1-3-5-7)10-12(17-11(8)16)18-14(21)19-13(10)20/h1-5,9H,16H2,(H3,17,18,19,20,21)
InChIKeyMWEIRBYUVPKOKA-UHFFFAOYSA-N
XLogP0.31
TPSA127.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile (CID 134153755) is 7-amino-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile is N#CC1=C(N)Nc2[nH]c(=O)[nH]c(=O)c2C1c1ccccc1.
What is the InChIKey of 7-amino-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is MWEIRBYUVPKOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c15-6-8-9(7-4-2-1-3-5-7)10-12(17-11(8)16)18-14(21)19-13(10)20/h1-5,9H,16H2,(H3,17,18,19,20,21).
What are the key properties of 7-amino-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
7-amino-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 281.27 g/mol, XLogP of 0.31, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2,4-dioxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 134153755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).