2-(1-methoxycyclopentyl)-4-(2-methoxy-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

C23H27N3O2 — CID 118589047

IUPAC2-(1-methoxycyclopentyl)-4-(2-methoxy-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
SMILESCOc1cc(-c2c(C#N)c(C3(OC)CCCC3)nc3c2CCCCC3)ccn1
InChIInChI=1S/C23H27N3O2/c1-27-20-14-16(10-13-25-20)21-17-8-4-3-5-9-19(17)26-22(18(21)15-24)23(28-2)11-6-7-12-23/h10,13-14H,3-9,11-12H2,1-2H3
InChIKeyAZYWVFLFZAPHCU-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.71
Rot. Bonds4

About 2-(1-methoxycyclopentyl)-4-(2-methoxy-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

2-(1-methoxycyclopentyl)-4-(2-methoxy-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile (PubChem CID 118589047) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(1-methoxycyclopentyl)-4-(2-methoxy-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1-methoxycyclopentyl)-4-(2-methoxy-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
PubChem CID118589047
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-(1-methoxycyclopentyl)-4-(2-methoxy-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
SMILESCOc1cc(-c2c(C#N)c(C3(OC)CCCC3)nc3c2CCCCC3)ccn1
InChIInChI=1S/C23H27N3O2/c1-27-20-14-16(10-13-25-20)21-17-8-4-3-5-9-19(17)26-22(18(21)15-24)23(28-2)11-6-7-12-23/h10,13-14H,3-9,11-12H2,1-2H3
InChIKeyAZYWVFLFZAPHCU-UHFFFAOYSA-N
XLogP4.71
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-methoxycyclopentyl)-4-(2-methoxy-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile with MolForge

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Related Compounds

4-(2-methyl-4-pyridinyl)-2-[(3S)-oxolan-3-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 118589209
2-amino-4-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4635461
cycloheptanone;2-(3,3-difluorocyclobutyl)-4-(2-methyl-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 159613071
2-[1-(methoxymethyl)cyclopentyl]-4-(2-methyl-4-pyridinyl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 90043658
2-(4-cyanophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 16723952
2-amino-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 662688
2-amino-4-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1012618
4-(4-methoxyphenyl)-2-(3-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56933964
4-(1H-indazol-4-yl)-2-[1-(methoxymethyl)cyclopentyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 90043239
2-cyclopentyl-4-(6-methoxy-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 90042990
2-(1-methoxycycloheptyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 116776251
2-(1-methoxycycloheptyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116775684

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopentyl)-4-(2-methoxy-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(1-methoxycyclopentyl)-4-(2-methoxy-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile (CID 118589047) is 2-(1-methoxycyclopentyl)-4-(2-methoxy-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(1-methoxycyclopentyl)-4-(2-methoxy-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(1-methoxycyclopentyl)-4-(2-methoxy-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile is COc1cc(-c2c(C#N)c(C3(OC)CCCC3)nc3c2CCCCC3)ccn1.
What is the InChIKey of 2-(1-methoxycyclopentyl)-4-(2-methoxy-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
The InChIKey is AZYWVFLFZAPHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-27-20-14-16(10-13-25-20)21-17-8-4-3-5-9-19(17)26-22(18(21)15-24)23(28-2)11-6-7-12-23/h10,13-14H,3-9,11-12H2,1-2H3.
What are the key properties of 2-(1-methoxycyclopentyl)-4-(2-methoxy-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile?
2-(1-methoxycyclopentyl)-4-(2-methoxy-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile has a molecular weight of 377.49 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopentyl)-4-(2-methoxy-4-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 118589047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).