7-methyl-3-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine

C13H21N3 — CID 81136619

IUPAC7-methyl-3-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine
SMILESCc1ccc2c(n1)NCC(CC(C)C)CN2
InChIInChI=1S/C13H21N3/c1-9(2)6-11-7-14-12-5-4-10(3)16-13(12)15-8-11/h4-5,9,11,14H,6-8H2,1-3H3,(H,15,16)
InChIKeyXVLRKZMDNOFRNY-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.89
Rot. Bonds2

About 7-methyl-3-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine

7-methyl-3-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine (PubChem CID 81136619) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 7-methyl-3-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine.

Molecular Properties

Compound Name7-methyl-3-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine
PubChem CID81136619
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name7-methyl-3-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine
SMILESCc1ccc2c(n1)NCC(CC(C)C)CN2
InChIInChI=1S/C13H21N3/c1-9(2)6-11-7-14-12-5-4-10(3)16-13(12)15-8-11/h4-5,9,11,14H,6-8H2,1-3H3,(H,15,16)
InChIKeyXVLRKZMDNOFRNY-UHFFFAOYSA-N
XLogP2.89
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-3-propan-2-yl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
CID 81136699
6-methyl-3-propyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
CID 81137512
5-methyl-2,3-dihydro-1H-imidazo[4,5-b]pyridine;molecular hydrogen
CID 178139662
3-ethyl-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
CID 81136874
7-methyl-3-propyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
CID 81136963
3-methoxy-7-methyl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-one
CID 106110856
3,3,6-trimethyl-2,4-dihydro-1H-pyrido[2,3-b]pyrazine
CID 81137689
5-methyl-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106820143
6-methyl-3-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
CID 113279745
3-ethyl-3,6-dimethyl-2,4-dihydro-1H-pyrido[2,3-b]pyrazine
CID 81137779
(5S)-5-(2-methylpropyl)piperidin-2-one
CID 172505692
7-[(2S)-2-(6-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl)propyl]-2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
CID 139424700

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine?
The IUPAC name of 7-methyl-3-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine (CID 81136619) is 7-methyl-3-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine.
What is the SMILES notation for 7-methyl-3-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine?
The canonical SMILES for 7-methyl-3-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine is Cc1ccc2c(n1)NCC(CC(C)C)CN2.
What is the InChIKey of 7-methyl-3-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine?
The InChIKey is XVLRKZMDNOFRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9(2)6-11-7-14-12-5-4-10(3)16-13(12)15-8-11/h4-5,9,11,14H,6-8H2,1-3H3,(H,15,16).
What are the key properties of 7-methyl-3-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine?
7-methyl-3-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine has a molecular weight of 219.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine is sourced from PubChem (CID 81136619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).