5H-pyrimido[5,4-d][2]benzazepine-9-carboxamide

C13H10N4O — CID 140658926

IUPAC5H-pyrimido[5,4-d][2]benzazepine-9-carboxamide
SMILESNC(=O)c1ccc2c(c1)C=NCc1cncnc1-2
InChIInChI=1S/C13H10N4O/c14-13(18)8-1-2-11-9(3-8)4-15-5-10-6-16-7-17-12(10)11/h1-4,6-7H,5H2,(H2,14,18)
InChIKeySVRYVXNHFDWBTP-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.17
Rot. Bonds1

About 5H-pyrimido[5,4-d][2]benzazepine-9-carboxamide

5H-pyrimido[5,4-d][2]benzazepine-9-carboxamide (PubChem CID 140658926) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 5H-pyrimido[5,4-d][2]benzazepine-9-carboxamide.

Molecular Properties

Compound Name5H-pyrimido[5,4-d][2]benzazepine-9-carboxamide
PubChem CID140658926
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name5H-pyrimido[5,4-d][2]benzazepine-9-carboxamide
SMILESNC(=O)c1ccc2c(c1)C=NCc1cncnc1-2
InChIInChI=1S/C13H10N4O/c14-13(18)8-1-2-11-9(3-8)4-15-5-10-6-16-7-17-12(10)11/h1-4,6-7H,5H2,(H2,14,18)
InChIKeySVRYVXNHFDWBTP-UHFFFAOYSA-N
XLogP1.17
TPSA81.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5H-pyrimido[5,4-d][2]benzazepine-9-carboxamide?
The IUPAC name of 5H-pyrimido[5,4-d][2]benzazepine-9-carboxamide (CID 140658926) is 5H-pyrimido[5,4-d][2]benzazepine-9-carboxamide.
What is the SMILES notation for 5H-pyrimido[5,4-d][2]benzazepine-9-carboxamide?
The canonical SMILES for 5H-pyrimido[5,4-d][2]benzazepine-9-carboxamide is NC(=O)c1ccc2c(c1)C=NCc1cncnc1-2.
What is the InChIKey of 5H-pyrimido[5,4-d][2]benzazepine-9-carboxamide?
The InChIKey is SVRYVXNHFDWBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-13(18)8-1-2-11-9(3-8)4-15-5-10-6-16-7-17-12(10)11/h1-4,6-7H,5H2,(H2,14,18).
What are the key properties of 5H-pyrimido[5,4-d][2]benzazepine-9-carboxamide?
5H-pyrimido[5,4-d][2]benzazepine-9-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrimido[5,4-d][2]benzazepine-9-carboxamide is sourced from PubChem (CID 140658926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).