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Nevirapine

C15H14N4O — CID 4463

💊View drug profile → nevirapine

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
SMILESCc1ccnc2c1NC(=O)c1cccnc1N2C1CC1
InChIInChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
InChIKeyNQDJXKOVJZTUJA-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.65
Rot. Bonds1

About Nevirapine

Nevirapine (PubChem CID 4463) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one.

Molecular Properties

Compound NameNevirapine
PubChem CID4463
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
SMILESCc1ccnc2c1NC(=O)c1cccnc1N2C1CC1
InChIInChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
InChIKeyNQDJXKOVJZTUJA-UHFFFAOYSA-N
XLogP2.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pirenzepine
CID 4848
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
2-Hydroxy nevirapine
CID 10850461
8-Heteroarylthiomethyldipyridodiazepinone deriv. 17
CID 515052

Frequently Asked Questions

What is the IUPAC name of Nevirapine?
The IUPAC name of Nevirapine (CID 4463) is 2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one.
What is the SMILES notation for Nevirapine?
The canonical SMILES for Nevirapine is Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1.
What is the InChIKey of Nevirapine?
The InChIKey is NQDJXKOVJZTUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20).
What are the key properties of Nevirapine?
Nevirapine has a molecular weight of 266.30 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Nevirapine is sourced from PubChem (CID 4463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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