2-[4-(furan-2-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine

C17H24N4O — CID 97468915

IUPAC2-[4-(furan-2-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(Cc2ccco2)Cc2cccnc21
InChIInChI=1S/C17H24N4O/c1-19(2)8-10-21-11-9-20(14-16-6-4-12-22-16)13-15-5-3-7-18-17(15)21/h3-7,12H,8-11,13-14H2,1-2H3
InChIKeyDKIJIDNCWOTFLP-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.06
Rot. Bonds5

About 2-[4-(furan-2-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine

2-[4-(furan-2-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine (PubChem CID 97468915) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[4-(furan-2-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(furan-2-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine
PubChem CID97468915
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-[4-(furan-2-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(Cc2ccco2)Cc2cccnc21
InChIInChI=1S/C17H24N4O/c1-19(2)8-10-21-11-9-20(14-16-6-4-12-22-16)13-15-5-3-7-18-17(15)21/h3-7,12H,8-11,13-14H2,1-2H3
InChIKeyDKIJIDNCWOTFLP-UHFFFAOYSA-N
XLogP2.06
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(furan-2-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine (CID 97468915) is 2-[4-(furan-2-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(furan-2-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(furan-2-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine is CN(C)CCN1CCN(Cc2ccco2)Cc2cccnc21.
What is the InChIKey of 2-[4-(furan-2-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine?
The InChIKey is DKIJIDNCWOTFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-19(2)8-10-21-11-9-20(14-16-6-4-12-22-16)13-15-5-3-7-18-17(15)21/h3-7,12H,8-11,13-14H2,1-2H3.
What are the key properties of 2-[4-(furan-2-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine?
2-[4-(furan-2-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine has a molecular weight of 300.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 97468915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).