[(2R)-oxolan-2-yl]-[1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone

C19H22N4O2 — CID 97469039

IUPAC[(2R)-oxolan-2-yl]-[1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCN(Cc2cccnc2)c2ncccc2C1
InChIInChI=1S/C19H22N4O2/c24-19(17-6-3-11-25-17)23-10-9-22(13-15-4-1-7-20-12-15)18-16(14-23)5-2-8-21-18/h1-2,4-5,7-8,12,17H,3,6,9-11,13-14H2/t17-/m1/s1
InChIKeyJMYLLWFYWPSCLP-QGZVFWFLSA-N
MW338.41 g/mol
LogP2.00
Rot. Bonds3

About [(2R)-oxolan-2-yl]-[1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone

[(2R)-oxolan-2-yl]-[1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone (PubChem CID 97469039) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]-[1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]-[1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone
PubChem CID97469039
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name[(2R)-oxolan-2-yl]-[1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCN(Cc2cccnc2)c2ncccc2C1
InChIInChI=1S/C19H22N4O2/c24-19(17-6-3-11-25-17)23-10-9-22(13-15-4-1-7-20-12-15)18-16(14-23)5-2-8-21-18/h1-2,4-5,7-8,12,17H,3,6,9-11,13-14H2/t17-/m1/s1
InChIKeyJMYLLWFYWPSCLP-QGZVFWFLSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]-[1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone?
The IUPAC name of [(2R)-oxolan-2-yl]-[1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone (CID 97469039) is [(2R)-oxolan-2-yl]-[1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone.
What is the SMILES notation for [(2R)-oxolan-2-yl]-[1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone?
The canonical SMILES for [(2R)-oxolan-2-yl]-[1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone is O=C([C@H]1CCCO1)N1CCN(Cc2cccnc2)c2ncccc2C1.
What is the InChIKey of [(2R)-oxolan-2-yl]-[1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone?
The InChIKey is JMYLLWFYWPSCLP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-19(17-6-3-11-25-17)23-10-9-22(13-15-4-1-7-20-12-15)18-16(14-23)5-2-8-21-18/h1-2,4-5,7-8,12,17H,3,6,9-11,13-14H2/t17-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]-[1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone?
[(2R)-oxolan-2-yl]-[1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone has a molecular weight of 338.41 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]-[1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone is sourced from PubChem (CID 97469039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).