4-(furan-2-ylmethyl)-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

C14H17N3O — CID 97468875

IUPAC4-(furan-2-ylmethyl)-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCN1CCN(Cc2ccco2)Cc2cccnc21
InChIInChI=1S/C14H17N3O/c1-16-7-8-17(11-13-5-3-9-18-13)10-12-4-2-6-15-14(12)16/h2-6,9H,7-8,10-11H2,1H3
InChIKeyRQEIEFUDWJXRBL-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.13
Rot. Bonds2

About 4-(furan-2-ylmethyl)-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

4-(furan-2-ylmethyl)-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (PubChem CID 97468875) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(furan-2-ylmethyl)-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.

Molecular Properties

Compound Name4-(furan-2-ylmethyl)-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
PubChem CID97468875
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-(furan-2-ylmethyl)-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCN1CCN(Cc2ccco2)Cc2cccnc21
InChIInChI=1S/C14H17N3O/c1-16-7-8-17(11-13-5-3-9-18-13)10-12-4-2-6-15-14(12)16/h2-6,9H,7-8,10-11H2,1H3
InChIKeyRQEIEFUDWJXRBL-UHFFFAOYSA-N
XLogP2.13
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Triazine-4-carboxamide, 11
CID 44520936
N-(2-furylmethyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide
CID 970504
Furan-2-carboxylic acid (6-butyrylamino-4-methyl-pyridin-3-yl)-amide
CID 1452773
N-[5-[(2,2-dimethyl-1-oxopropyl)amino]-2-pyridinyl]-2-furancarboxamide
CID 1452801
1-(2-Cyanoethyl)-3-(furan-2-ylmethyl)-1-(pyridin-3-ylmethyl)thiourea
CID 2533954
2-[4-(2-Furylcarbonyl)piperazino]nicotinonitrile
CID 2812129
(2-Furylmethyl)(3-pyridinylmethyl)amine hydrochloride
CID 2815908
N-(2-furylmethyl)-N'-(3-methyl-2-pyridinyl)thiourea
CID 2981748
N-[6-(pentanoylamino)pyridin-3-yl]furan-2-carboxamide
CID 3213149
N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 24251169
MS 28
CID 195216
3-(2-furyl)-N-(5-methyl-2-pyridinyl)acrylamide
CID 898228

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethyl)-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The IUPAC name of 4-(furan-2-ylmethyl)-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (CID 97468875) is 4-(furan-2-ylmethyl)-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.
What is the SMILES notation for 4-(furan-2-ylmethyl)-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The canonical SMILES for 4-(furan-2-ylmethyl)-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is CN1CCN(Cc2ccco2)Cc2cccnc21.
What is the InChIKey of 4-(furan-2-ylmethyl)-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The InChIKey is RQEIEFUDWJXRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-16-7-8-17(11-13-5-3-9-18-13)10-12-4-2-6-15-14(12)16/h2-6,9H,7-8,10-11H2,1H3.
What are the key properties of 4-(furan-2-ylmethyl)-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
4-(furan-2-ylmethyl)-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine has a molecular weight of 243.31 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethyl)-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is sourced from PubChem (CID 97468875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).