cyclopropyl-(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)methanone

C14H19N3O — CID 97469091

IUPACcyclopropyl-(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)methanone
SMILESCc1ccc2c(n1)N(C)CCN(C(=O)C1CC1)C2
InChIInChI=1S/C14H19N3O/c1-10-3-4-12-9-17(14(18)11-5-6-11)8-7-16(2)13(12)15-10/h3-4,11H,5-9H2,1-2H3
InChIKeyMSYOZSJWRQQQLX-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.58
Rot. Bonds1

About cyclopropyl-(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)methanone

cyclopropyl-(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)methanone (PubChem CID 97469091) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is cyclopropyl-(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)methanone
PubChem CID97469091
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Namecyclopropyl-(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)methanone
SMILESCc1ccc2c(n1)N(C)CCN(C(=O)C1CC1)C2
InChIInChI=1S/C14H19N3O/c1-10-3-4-12-9-17(14(18)11-5-6-11)8-7-16(2)13(12)15-10/h3-4,11H,5-9H2,1-2H3
InChIKeyMSYOZSJWRQQQLX-UHFFFAOYSA-N
XLogP1.58
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)methanone?
The IUPAC name of cyclopropyl-(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)methanone (CID 97469091) is cyclopropyl-(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)methanone.
What is the SMILES notation for cyclopropyl-(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)methanone?
The canonical SMILES for cyclopropyl-(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)methanone is Cc1ccc2c(n1)N(C)CCN(C(=O)C1CC1)C2.
What is the InChIKey of cyclopropyl-(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)methanone?
The InChIKey is MSYOZSJWRQQQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-3-4-12-9-17(14(18)11-5-6-11)8-7-16(2)13(12)15-10/h3-4,11H,5-9H2,1-2H3.
What are the key properties of cyclopropyl-(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)methanone?
cyclopropyl-(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)methanone has a molecular weight of 245.33 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(1,8-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)methanone is sourced from PubChem (CID 97469091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).