pyrido[2,1-c][1,4]benzodiazepine-9-carboxamide

C14H11N3O — CID 172683681

IUPACpyrido[2,1-c][1,4]benzodiazepine-9-carboxamide
SMILESNC(=O)C1=CN2C=c3ccccc3=NC=C2C=C1
InChIInChI=1S/C14H11N3O/c15-14(18)11-5-6-12-7-16-13-4-2-1-3-10(13)8-17(12)9-11/h1-9H,(H2,15,18)
InChIKeyASZUGLCLRCGEAA-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.14
Rot. Bonds1

About pyrido[2,1-c][1,4]benzodiazepine-9-carboxamide

pyrido[2,1-c][1,4]benzodiazepine-9-carboxamide (PubChem CID 172683681) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is pyrido[2,1-c][1,4]benzodiazepine-9-carboxamide.

Molecular Properties

Compound Namepyrido[2,1-c][1,4]benzodiazepine-9-carboxamide
PubChem CID172683681
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Namepyrido[2,1-c][1,4]benzodiazepine-9-carboxamide
SMILESNC(=O)C1=CN2C=c3ccccc3=NC=C2C=C1
InChIInChI=1S/C14H11N3O/c15-14(18)11-5-6-12-7-16-13-4-2-1-3-10(13)8-17(12)9-11/h1-9H,(H2,15,18)
InChIKeyASZUGLCLRCGEAA-UHFFFAOYSA-N
XLogP0.14
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-Amino-1,5-benzo-diazepin-2-one
CID 129871683
(E)-3-(7H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide
CID 20164041
(E)-3-(1,2-benzodiazepin-2-yl)prop-2-enamide
CID 20504463
3-(7H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide
CID 53876184
3-(1,2-Benzodiazepin-2-yl)prop-2-enamide
CID 54181904
2-(1,4-Benzodiazepin-2-ylidene)acetamide
CID 54264308
3-Amino-1,5-benzodiazepin-2-one
CID 54546721
(2Z)-2-(1,4-benzodiazepin-2-ylidene)acetamide
CID 57449244
7H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide
CID 67435726
9H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxamide
CID 67435730
3-(1,4-Benzodiazepin-4-yl)propanamide
CID 67695544
2H-benzo[b][1,4]benzodiazepine-2-carboxamide
CID 69165388

Frequently Asked Questions

What is the IUPAC name of pyrido[2,1-c][1,4]benzodiazepine-9-carboxamide?
The IUPAC name of pyrido[2,1-c][1,4]benzodiazepine-9-carboxamide (CID 172683681) is pyrido[2,1-c][1,4]benzodiazepine-9-carboxamide.
What is the SMILES notation for pyrido[2,1-c][1,4]benzodiazepine-9-carboxamide?
The canonical SMILES for pyrido[2,1-c][1,4]benzodiazepine-9-carboxamide is NC(=O)C1=CN2C=c3ccccc3=NC=C2C=C1.
What is the InChIKey of pyrido[2,1-c][1,4]benzodiazepine-9-carboxamide?
The InChIKey is ASZUGLCLRCGEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c15-14(18)11-5-6-12-7-16-13-4-2-1-3-10(13)8-17(12)9-11/h1-9H,(H2,15,18).
What are the key properties of pyrido[2,1-c][1,4]benzodiazepine-9-carboxamide?
pyrido[2,1-c][1,4]benzodiazepine-9-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[2,1-c][1,4]benzodiazepine-9-carboxamide is sourced from PubChem (CID 172683681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).