CID 59472039

C16H12N5O — CID 59472039

IUPAC—
SMILES[NH]c1ncc(-c2cccnc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C16H12N5O/c17-15-14(16(22)20-12-6-2-1-3-7-12)21-13(10-19-15)11-5-4-8-18-9-11/h1-10,17H,(H,20,22)
InChIKeyHBCCVPMAXBSRKS-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.71
Rot. Bonds3

About CID 59472039

CID 59472039 (PubChem CID 59472039) has the molecular formula C16H12N5O and a molecular weight of 290.31 g/mol.

Molecular Properties

Compound NameCID 59472039
PubChem CID59472039
Molecular FormulaC16H12N5O
Molecular Weight290.31 g/mol
Exact Mass290.10
IUPAC Name—
SMILES[NH]c1ncc(-c2cccnc2)nc1C(=O)Nc1ccccc1
InChIInChI=1S/C16H12N5O/c17-15-14(16(22)20-12-6-2-1-3-7-12)21-13(10-19-15)11-5-4-8-18-9-11/h1-10,17H,(H,20,22)
InChIKeyHBCCVPMAXBSRKS-UHFFFAOYSA-N
XLogP2.71
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide
CID 59471810
N-(3-carbamoylphenyl)-3-methyl-6-pyridin-3-ylpyrazine-2-carboxamide;molecular hydrogen
CID 160655859
6-(3-aminophenyl)-3-methyl-N-phenylpyrazine-2-carboxamide
CID 160820258
3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937360
N,4-diphenylpyridine-3-carboxamide
CID 13115140
3-amino-N-(1H-indol-5-yl)-6-pyridin-3-ylpyrazine-2-carboxamide
CID 46834031
3-amino-N-(1H-indol-6-yl)-6-pyridin-3-ylpyrazine-2-carboxamide
CID 59471623
N-phenyl-6-[2-(6-pyridin-3-yl-2-pyridinyl)propan-2-yl]pyridine-2-carboxamide
CID 59399251
6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
CID 59472127
3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471893
3-amino-N-(1-methylindol-6-yl)-6-pyridin-3-ylpyrazine-2-carboxamide
CID 130206369
N-(5-acetamido-2-methoxyphenyl)-3-methyl-6-pyridin-3-ylpyrazine-2-carboxamide;molecular hydrogen
CID 157383195

Frequently Asked Questions

What is the IUPAC name of CID 59472039?
The IUPAC name of CID 59472039 (CID 59472039) is not available.
What is the SMILES notation for CID 59472039?
The canonical SMILES for CID 59472039 is [NH]c1ncc(-c2cccnc2)nc1C(=O)Nc1ccccc1.
What is the InChIKey of CID 59472039?
The InChIKey is HBCCVPMAXBSRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N5O/c17-15-14(16(22)20-12-6-2-1-3-7-12)21-13(10-19-15)11-5-4-8-18-9-11/h1-10,17H,(H,20,22).
What are the key properties of CID 59472039?
CID 59472039 has a molecular weight of 290.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59472039 is sourced from PubChem (CID 59472039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).