(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-pyrrolidin-1-ylmethanone

C14H20N4O — CID 97383564

IUPAC(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-pyrrolidin-1-ylmethanone
SMILESCN1CCN(C(=O)N2CCCC2)Cc2cccnc21
InChIInChI=1S/C14H20N4O/c1-16-9-10-18(14(19)17-7-2-3-8-17)11-12-5-4-6-15-13(12)16/h4-6H,2-3,7-11H2,1H3
InChIKeyQFUPOWZRWWFJQV-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.55
Rot. Bonds

About (1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-pyrrolidin-1-ylmethanone

(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 97383564) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID97383564
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-pyrrolidin-1-ylmethanone
SMILESCN1CCN(C(=O)N2CCCC2)Cc2cccnc21
InChIInChI=1S/C14H20N4O/c1-16-9-10-18(14(19)17-7-2-3-8-17)11-12-5-4-6-15-13(12)16/h4-6H,2-3,7-11H2,1H3
InChIKeyQFUPOWZRWWFJQV-UHFFFAOYSA-N
XLogP1.55
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-pyrrolidin-1-ylmethanone (CID 97383564) is (1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-pyrrolidin-1-ylmethanone is CN1CCN(C(=O)N2CCCC2)Cc2cccnc21.
What is the InChIKey of (1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is QFUPOWZRWWFJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-16-9-10-18(14(19)17-7-2-3-8-17)11-12-5-4-6-15-13(12)16/h4-6H,2-3,7-11H2,1H3.
What are the key properties of (1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-pyrrolidin-1-ylmethanone?
(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 260.34 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97383564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).