N-(6-formyl-3-pyridinyl)-2-phenoxypyrimidine-5-carboxamide

C17H12N4O3 — CID 86098575

IUPACN-(6-formyl-3-pyridinyl)-2-phenoxypyrimidine-5-carboxamide
SMILESO=Cc1ccc(NC(=O)c2cnc(Oc3ccccc3)nc2)cn1
InChIInChI=1S/C17H12N4O3/c22-11-14-7-6-13(10-18-14)21-16(23)12-8-19-17(20-9-12)24-15-4-2-1-3-5-15/h1-11H,(H,21,23)
InChIKeyJMIWDSXNASSEHQ-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.73
Rot. Bonds5

About N-(6-formyl-3-pyridinyl)-2-phenoxypyrimidine-5-carboxamide

N-(6-formyl-3-pyridinyl)-2-phenoxypyrimidine-5-carboxamide (PubChem CID 86098575) has the molecular formula C17H12N4O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-(6-formyl-3-pyridinyl)-2-phenoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(6-formyl-3-pyridinyl)-2-phenoxypyrimidine-5-carboxamide
PubChem CID86098575
Molecular FormulaC17H12N4O3
Molecular Weight320.31 g/mol
Exact Mass320.09
IUPAC NameN-(6-formyl-3-pyridinyl)-2-phenoxypyrimidine-5-carboxamide
SMILESO=Cc1ccc(NC(=O)c2cnc(Oc3ccccc3)nc2)cn1
InChIInChI=1S/C17H12N4O3/c22-11-14-7-6-13(10-18-14)21-16(23)12-8-19-17(20-9-12)24-15-4-2-1-3-5-15/h1-11H,(H,21,23)
InChIKeyJMIWDSXNASSEHQ-UHFFFAOYSA-N
XLogP2.73
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide
CID 122302221
3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302212
4-(dimethylamino)-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302379
4-methylsulfanyl-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302430
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206
1-(2-phenoxypyrimidin-5-yl)-3-phenylurea
CID 122302271
N-(2-phenoxypyrimidin-5-yl)prop-2-enamide
CID 139021184
methyl 2-phenoxypyrimidine-5-carboxylate
CID 68554907
N-[6-(4-phenoxyanilino)-3-pyridinyl]benzamide
CID 113021208
N-(2-phenoxypyrimidin-5-yl)quinoxaline-2-carboxamide
CID 122302374
2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide
CID 122302193

Frequently Asked Questions

What is the IUPAC name of N-(6-formyl-3-pyridinyl)-2-phenoxypyrimidine-5-carboxamide?
The IUPAC name of N-(6-formyl-3-pyridinyl)-2-phenoxypyrimidine-5-carboxamide (CID 86098575) is N-(6-formyl-3-pyridinyl)-2-phenoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-(6-formyl-3-pyridinyl)-2-phenoxypyrimidine-5-carboxamide?
The canonical SMILES for N-(6-formyl-3-pyridinyl)-2-phenoxypyrimidine-5-carboxamide is O=Cc1ccc(NC(=O)c2cnc(Oc3ccccc3)nc2)cn1.
What is the InChIKey of N-(6-formyl-3-pyridinyl)-2-phenoxypyrimidine-5-carboxamide?
The InChIKey is JMIWDSXNASSEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3/c22-11-14-7-6-13(10-18-14)21-16(23)12-8-19-17(20-9-12)24-15-4-2-1-3-5-15/h1-11H,(H,21,23).
What are the key properties of N-(6-formyl-3-pyridinyl)-2-phenoxypyrimidine-5-carboxamide?
N-(6-formyl-3-pyridinyl)-2-phenoxypyrimidine-5-carboxamide has a molecular weight of 320.31 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-formyl-3-pyridinyl)-2-phenoxypyrimidine-5-carboxamide is sourced from PubChem (CID 86098575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).