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

C22H24N4 — CID 97410231

IUPAC4-(2-phenylethyl)-1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESc1ccc(CCN2CCN(Cc3ccncc3)c3ncccc3C2)cc1
InChIInChI=1S/C22H24N4/c1-2-5-19(6-3-1)10-14-25-15-16-26(17-20-8-12-23-13-9-20)22-21(18-25)7-4-11-24-22/h1-9,11-13H,10,14-18H2
InChIKeyQQTZVKRCQRDTDL-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.54
Rot. Bonds5

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

4-(2-phenylethyl)-1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (PubChem CID 97410231) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-(2-phenylethyl)-1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.

Molecular Properties

Compound Name4-(2-phenylethyl)-1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
PubChem CID97410231
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name4-(2-phenylethyl)-1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESc1ccc(CCN2CCN(Cc3ccncc3)c3ncccc3C2)cc1
InChIInChI=1S/C22H24N4/c1-2-5-19(6-3-1)10-14-25-15-16-26(17-20-8-12-23-13-9-20)22-21(18-25)7-4-11-24-22/h1-9,11-13H,10,14-18H2
InChIKeyQQTZVKRCQRDTDL-UHFFFAOYSA-N
XLogP3.54
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-phenylethyl)-1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine with MolForge

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Related Compounds

cyclopropyl-[1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]methanone
CID 97469065
1-benzyl-2,4-dihydropyrido[2,3-d][1,3]oxazine
CID 141108565
8-(2-phenylethyl)-7,9-dihydro-6H-pyrido[4,3-b][1,5]naphthyridine
CID 24731687
9-benzyl-6-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-2,3,5,7,9-pentazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene
CID 67544314
1-(2-phenylethyl)-4-(pyridin-3-ylmethyl)piperazine;trihydrobromide
CID 68939346
4-[(6-methyl-2-pyridinyl)methyl]-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine;tetrakis(2,2,2-trifluoroacetic acid)
CID 171687901
4-(oxan-4-yl)-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97469034
1-(2-pyridin-4-ylethyl)-2,3-dihydroindole
CID 25056
11-benzyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
CID 67154993
4-[4-(2-phenylethyl)piperazin-1-yl]-2-pyridin-4-ylquinazoline
CID 24626620
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
(3R)-N-phenyl-1-(2-pyridin-4-ylethyl)piperidin-3-amine
CID 124590956

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)-1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The IUPAC name of 4-(2-phenylethyl)-1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (CID 97410231) is 4-(2-phenylethyl)-1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.
What is the SMILES notation for 4-(2-phenylethyl)-1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The canonical SMILES for 4-(2-phenylethyl)-1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is c1ccc(CCN2CCN(Cc3ccncc3)c3ncccc3C2)cc1.
What is the InChIKey of 4-(2-phenylethyl)-1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The InChIKey is QQTZVKRCQRDTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-2-5-19(6-3-1)10-14-25-15-16-26(17-20-8-12-23-13-9-20)22-21(18-25)7-4-11-24-22/h1-9,11-13H,10,14-18H2.
What are the key properties of 4-(2-phenylethyl)-1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
4-(2-phenylethyl)-1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine has a molecular weight of 344.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is sourced from PubChem (CID 97410231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).