N-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-yl)cyclopropanecarboxamide

C16H16N4O — CID 130248398

IUPACN-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ncc2c(n1)-c1ccccc1NCC2)C1CC1
InChIInChI=1S/C16H16N4O/c21-15(10-5-6-10)20-16-18-9-11-7-8-17-13-4-2-1-3-12(13)14(11)19-16/h1-4,9-10,17H,5-8H2,(H,18,19,20,21)
InChIKeyFWPYEMQHXLQPFH-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.46
Rot. Bonds2

About N-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-yl)cyclopropanecarboxamide

N-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-yl)cyclopropanecarboxamide (PubChem CID 130248398) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-yl)cyclopropanecarboxamide
PubChem CID130248398
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ncc2c(n1)-c1ccccc1NCC2)C1CC1
InChIInChI=1S/C16H16N4O/c21-15(10-5-6-10)20-16-18-9-11-7-8-17-13-4-2-1-3-12(13)14(11)19-16/h1-4,9-10,17H,5-8H2,(H,18,19,20,21)
InChIKeyFWPYEMQHXLQPFH-UHFFFAOYSA-N
XLogP2.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-yl)cyclopropanecarboxamide (CID 130248398) is N-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-yl)cyclopropanecarboxamide is O=C(Nc1ncc2c(n1)-c1ccccc1NCC2)C1CC1.
What is the InChIKey of N-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-yl)cyclopropanecarboxamide?
The InChIKey is FWPYEMQHXLQPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c21-15(10-5-6-10)20-16-18-9-11-7-8-17-13-4-2-1-3-12(13)14(11)19-16/h1-4,9-10,17H,5-8H2,(H,18,19,20,21).
What are the key properties of N-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-yl)cyclopropanecarboxamide?
N-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-yl)cyclopropanecarboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrimido[5,4-d][1]benzazepin-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 130248398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).