7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine

C23H34N4 — CID 157406888

IUPAC7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
SMILESCC(C)c1ccc2c(n1)NCCC2.CC(C)c1ccc2c(n1)NCCCC2
InChIInChI=1S/C12H18N2.C11H16N2/c1-9(2)11-7-6-10-5-3-4-8-13-12(10)14-11;1-8(2)10-6-5-9-4-3-7-12-11(9)13-10/h6-7,9H,3-5,8H2,1-2H3,(H,13,14);5-6,8H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyBNVACHOWBNNYRV-UHFFFAOYSA-N
MW366.55 g/mol
LogP5.52
Rot. Bonds2

About 7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine

7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine (PubChem CID 157406888) has the molecular formula C23H34N4 and a molecular weight of 366.55 g/mol. Its IUPAC name is 7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine.

Molecular Properties

Compound Name7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
PubChem CID157406888
Molecular FormulaC23H34N4
Molecular Weight366.55 g/mol
Exact Mass366.28
IUPAC Name7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
SMILESCC(C)c1ccc2c(n1)NCCC2.CC(C)c1ccc2c(n1)NCCCC2
InChIInChI=1S/C12H18N2.C11H16N2/c1-9(2)11-7-6-10-5-3-4-8-13-12(10)14-11;1-8(2)10-6-5-9-4-3-7-12-11(9)13-10/h6-7,9H,3-5,8H2,1-2H3,(H,13,14);5-6,8H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyBNVACHOWBNNYRV-UHFFFAOYSA-N
XLogP5.52
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine with MolForge

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Related Compounds

(2R)-2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoic acid
CID 124639157
2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
CID 166941093
7-phenyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 58675483
2-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine
CID 137474323
7-(2-ethylbutyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 177029071
7-ethyl-1,2,3,4-tetrahydro-1,8-naphthyridine;molecular hydrogen
CID 176962671
2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)ethanol
CID 21054357
6-methyl-7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 139422166
N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine
CID 142054793
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)acetic acid
CID 22570252
molecular hydrogen;N-pentan-3-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-2-amine
CID 142054842
N,N-dimethyl-2-propan-2-yl-5,6,7,8-tetrahydro-1,8-naphthyridin-4-amine
CID 21064610

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine?
The IUPAC name of 7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine (CID 157406888) is 7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine.
What is the SMILES notation for 7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine?
The canonical SMILES for 7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine is CC(C)c1ccc2c(n1)NCCC2.CC(C)c1ccc2c(n1)NCCCC2.
What is the InChIKey of 7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine?
The InChIKey is BNVACHOWBNNYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.C11H16N2/c1-9(2)11-7-6-10-5-3-4-8-13-12(10)14-11;1-8(2)10-6-5-9-4-3-7-12-11(9)13-10/h6-7,9H,3-5,8H2,1-2H3,(H,13,14);5-6,8H,3-4,7H2,1-2H3,(H,12,13).
What are the key properties of 7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine?
7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine has a molecular weight of 366.55 g/mol, XLogP of 5.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;2-propan-2-yl-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine is sourced from PubChem (CID 157406888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).