N-(1-methylpiperidin-4-yl)-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide

C19H21N5O2 — CID 13271739

IUPACN-(1-methylpiperidin-4-yl)-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
SMILESCN1CCC(NC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1
InChIInChI=1S/C19H21N5O2/c1-23-11-8-13(9-12-23)21-19(26)24-16-7-3-2-5-14(16)18(25)22-15-6-4-10-20-17(15)24/h2-7,10,13H,8-9,11-12H2,1H3,(H,21,26)(H,22,25)
InChIKeyUZJBMSVTHSAMOG-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.59
Rot. Bonds1

About N-(1-methylpiperidin-4-yl)-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide

N-(1-methylpiperidin-4-yl)-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide (PubChem CID 13271739) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
PubChem CID13271739
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-(1-methylpiperidin-4-yl)-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
SMILESCN1CCC(NC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1
InChIInChI=1S/C19H21N5O2/c1-23-11-8-13(9-12-23)21-19(26)24-16-7-3-2-5-14(16)18(25)22-15-6-4-10-20-17(15)24/h2-7,10,13H,8-9,11-12H2,1H3,(H,21,26)(H,22,25)
InChIKeyUZJBMSVTHSAMOG-UHFFFAOYSA-N
XLogP2.59
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide (CID 13271739) is N-(1-methylpiperidin-4-yl)-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide is CN1CCC(NC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide?
The InChIKey is UZJBMSVTHSAMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-23-11-8-13(9-12-23)21-19(26)24-16-7-3-2-5-14(16)18(25)22-15-6-4-10-20-17(15)24/h2-7,10,13H,8-9,11-12H2,1H3,(H,21,26)(H,22,25).
What are the key properties of N-(1-methylpiperidin-4-yl)-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide?
N-(1-methylpiperidin-4-yl)-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide is sourced from PubChem (CID 13271739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).