1-methyl-4-pyridin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

C14H16N4 — CID 97411735

IUPAC1-methyl-4-pyridin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCN1CCN(c2ccccn2)Cc2cccnc21
InChIInChI=1S/C14H16N4/c1-17-9-10-18(13-6-2-3-7-15-13)11-12-5-4-8-16-14(12)17/h2-8H,9-11H2,1H3
InChIKeyVBDSGYLYLJKEDG-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.93
Rot. Bonds1

About 1-methyl-4-pyridin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

1-methyl-4-pyridin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (PubChem CID 97411735) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-methyl-4-pyridin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.

Molecular Properties

Compound Name1-methyl-4-pyridin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
PubChem CID97411735
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-methyl-4-pyridin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCN1CCN(c2ccccn2)Cc2cccnc21
InChIInChI=1S/C14H16N4/c1-17-9-10-18(13-6-2-3-7-15-13)11-12-5-4-8-16-14(12)17/h2-8H,9-11H2,1H3
InChIKeyVBDSGYLYLJKEDG-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
6-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 155953704
ethane;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 143469071
1-methyl-4-pyridin-2-yl-1,4-diazepane
CID 11790022
ethane;1-methyl-3,4-dihydro-2H-1,8-naphthyridine
CID 91237685
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
1-pyridin-2-ylpiperazin-4-ium
CID 3992659
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
1-methoxy-4-pyridin-2-ylpiperazine
CID 59857720
1,8-dimethyl-4-pyrimidin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97469083
ethane;bis(1-methyl-3,4-dihydro-2H-1,8-naphthyridine);bis(2-methylpropane)
CID 159492858
N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 26316419

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-pyridin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The IUPAC name of 1-methyl-4-pyridin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (CID 97411735) is 1-methyl-4-pyridin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.
What is the SMILES notation for 1-methyl-4-pyridin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The canonical SMILES for 1-methyl-4-pyridin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is CN1CCN(c2ccccn2)Cc2cccnc21.
What is the InChIKey of 1-methyl-4-pyridin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The InChIKey is VBDSGYLYLJKEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-17-9-10-18(13-6-2-3-7-15-13)11-12-5-4-8-16-14(12)17/h2-8H,9-11H2,1H3.
What are the key properties of 1-methyl-4-pyridin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
1-methyl-4-pyridin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine has a molecular weight of 240.31 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pyridin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is sourced from PubChem (CID 97411735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).