7-amino-5-(3-nitrophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile

C14H8N6O4 — CID 5493615

IUPAC7-amino-5-(3-nitrophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#Cc1c(N)nc2[nH]c(=O)[nH]c(=O)c2c1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H8N6O4/c15-5-8-9(6-2-1-3-7(4-6)20(23)24)10-12(17-11(8)16)18-14(22)19-13(10)21/h1-4H,(H4,16,17,18,19,21,22)
InChIKeyBZOVZSGXAHUSBV-UHFFFAOYSA-N
MW324.26 g/mol
LogP0.64
Rot. Bonds2

About 7-amino-5-(3-nitrophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile

7-amino-5-(3-nitrophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 5493615) has the molecular formula C14H8N6O4 and a molecular weight of 324.26 g/mol. Its IUPAC name is 7-amino-5-(3-nitrophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-(3-nitrophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID5493615
Molecular FormulaC14H8N6O4
Molecular Weight324.26 g/mol
Exact Mass324.06
IUPAC Name7-amino-5-(3-nitrophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESN#Cc1c(N)nc2[nH]c(=O)[nH]c(=O)c2c1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H8N6O4/c15-5-8-9(6-2-1-3-7(4-6)20(23)24)10-12(17-11(8)16)18-14(22)19-13(10)21/h1-4H,(H4,16,17,18,19,21,22)
InChIKeyBZOVZSGXAHUSBV-UHFFFAOYSA-N
XLogP0.64
TPSA171.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8,8-Dimethyl-5-(4-nitro-phenyl)-8,9-dihydro-1H,7H-pyrimido[4,5-b]quinoline-2,4,6-trione
CID 5441054
N-(3-Ethylphenyl)-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-D]pyrimidin-6-YL}propanamide
CID 16008662
7-amino-5-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 5714622
1-[5-(4-chlorophenyl)-6-cyano-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-7-yl]-3-phenyl-urea
CID 5493622
1-[5-(4-bromophenyl)-6-cyano-2,4-dioxo-1H-pyrido[2,3-d]pyrimidin-7-yl]-3-phenyl-urea
CID 5493623
N-[3-cyano-4-[3-(2,5-dioxopyrrol-1-yl)phenyl]-5-oxo-7,8-dihydro-6H-quinolin-2-yl]acetamide
CID 23642424
2-amino-4-(3-nitrophenyl)-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile
CID 23643964
4-Oxo-7-phenyl-2-sulfanylidene-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carbonitrile
CID 44424380
2-amino-4-(4-nitrophenyl)-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile
CID 44437102
10-(3-Nitro-phenyl)-1H,6H-1,3,6,8,9-pentaaza-anthracene-2,4,5-trione
CID 135484748
5-phenyl-7-(trifluoromethyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 134914520
6-amino-2,4-dioxo-5-phenyl-1H-pyrido[2,3-d]pyrimidine-7-carbonitrile
CID 177652200

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(3-nitrophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-5-(3-nitrophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile (CID 5493615) is 7-amino-5-(3-nitrophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-(3-nitrophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-5-(3-nitrophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile is N#Cc1c(N)nc2[nH]c(=O)[nH]c(=O)c2c1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 7-amino-5-(3-nitrophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is BZOVZSGXAHUSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N6O4/c15-5-8-9(6-2-1-3-7(4-6)20(23)24)10-12(17-11(8)16)18-14(22)19-13(10)21/h1-4H,(H4,16,17,18,19,21,22).
What are the key properties of 7-amino-5-(3-nitrophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
7-amino-5-(3-nitrophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 324.26 g/mol, XLogP of 0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(3-nitrophenyl)-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 5493615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).