2-methyl-N-(11H-pyrimido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide

C16H16N4O — CID 2314892

IUPAC2-methyl-N-(11H-pyrimido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide
SMILESCC(C)C(=O)/N=C1\N=C2N=CC=CN2Cc2ccccc21
InChIInChI=1S/C16H16N4O/c1-11(2)15(21)18-14-13-7-4-3-6-12(13)10-20-9-5-8-17-16(20)19-14/h3-9,11H,10H2,1-2H3/b18-14-
InChIKeySBGZUVKKGXRPNY-JXAWBTAJSA-N
MW280.33 g/mol
LogP2.39
Rot. Bonds1

About 2-methyl-N-(11H-pyrimido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide

2-methyl-N-(11H-pyrimido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide (PubChem CID 2314892) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-methyl-N-(11H-pyrimido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide.

Molecular Properties

Compound Name2-methyl-N-(11H-pyrimido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide
PubChem CID2314892
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-methyl-N-(11H-pyrimido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide
SMILESCC(C)C(=O)/N=C1\N=C2N=CC=CN2Cc2ccccc21
InChIInChI=1S/C16H16N4O/c1-11(2)15(21)18-14-13-7-4-3-6-12(13)10-20-9-5-8-17-16(20)19-14/h3-9,11H,10H2,1-2H3/b18-14-
InChIKeySBGZUVKKGXRPNY-JXAWBTAJSA-N
XLogP2.39
TPSA57.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethoxy)-N-(11H-pyrimido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide
CID 2318308
2,2-dichloro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)acetamide
CID 2317591
N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)pyridine-4-carboxamide
CID 2335491
methane;N-(2-propan-2-yl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)prop-2-enamide
CID 159883686
N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)bicyclo[2.2.1]heptane-1-carboxamide
CID 4166689
6-chloro-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)pyridine-3-carboxamide
CID 2307953
N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 2314330
N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide
CID 2333062
4-benzoyl-N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide
CID 2313426
N-(2-chloro-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-4-nitrobenzamide
CID 4089508
N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-3-phenylprop-2-enamide
CID 4654036
N-methyl-11,13-dihydroisoindolo[2,1-b][2,4]benzodiazepin-6-imine
CID 100818883

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(11H-pyrimido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide?
The IUPAC name of 2-methyl-N-(11H-pyrimido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide (CID 2314892) is 2-methyl-N-(11H-pyrimido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide.
What is the SMILES notation for 2-methyl-N-(11H-pyrimido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide?
The canonical SMILES for 2-methyl-N-(11H-pyrimido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide is CC(C)C(=O)/N=C1\N=C2N=CC=CN2Cc2ccccc21.
What is the InChIKey of 2-methyl-N-(11H-pyrimido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide?
The InChIKey is SBGZUVKKGXRPNY-JXAWBTAJSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11(2)15(21)18-14-13-7-4-3-6-12(13)10-20-9-5-8-17-16(20)19-14/h3-9,11H,10H2,1-2H3/b18-14-.
What are the key properties of 2-methyl-N-(11H-pyrimido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide?
2-methyl-N-(11H-pyrimido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide has a molecular weight of 280.33 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(11H-pyrimido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide is sourced from PubChem (CID 2314892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).