4-[2-cyclopentyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]-N-methylpyridin-2-amine

C22H27N7 — CID 90042917

IUPAC4-[2-cyclopentyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]-N-methylpyridin-2-amine
SMILESCNc1cc(-c2c3c(nc(C4CCCC4)c2-c2nn[nH]n2)CCCCC3)ccn1
InChIInChI=1S/C22H27N7/c1-23-18-13-15(11-12-24-18)19-16-9-3-2-4-10-17(16)25-21(14-7-5-6-8-14)20(19)22-26-28-29-27-22/h11-14H,2-10H2,1H3,(H,23,24)(H,26,27,28,29)
InChIKeyJDRDRUSGJUHXNY-UHFFFAOYSA-N
MW389.51 g/mol
LogP4.29
Rot. Bonds4

About 4-[2-cyclopentyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]-N-methylpyridin-2-amine

4-[2-cyclopentyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]-N-methylpyridin-2-amine (PubChem CID 90042917) has the molecular formula C22H27N7 and a molecular weight of 389.51 g/mol. Its IUPAC name is 4-[2-cyclopentyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[2-cyclopentyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]-N-methylpyridin-2-amine
PubChem CID90042917
Molecular FormulaC22H27N7
Molecular Weight389.51 g/mol
Exact Mass389.23
IUPAC Name4-[2-cyclopentyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]-N-methylpyridin-2-amine
SMILESCNc1cc(-c2c3c(nc(C4CCCC4)c2-c2nn[nH]n2)CCCCC3)ccn1
InChIInChI=1S/C22H27N7/c1-23-18-13-15(11-12-24-18)19-16-9-3-2-4-10-17(16)25-21(14-7-5-6-8-14)20(19)22-26-28-29-27-22/h11-14H,2-10H2,1H3,(H,23,24)(H,26,27,28,29)
InChIKeyJDRDRUSGJUHXNY-UHFFFAOYSA-N
XLogP4.29
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopentyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]-N-methylpyridin-2-amine?
The IUPAC name of 4-[2-cyclopentyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]-N-methylpyridin-2-amine (CID 90042917) is 4-[2-cyclopentyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for 4-[2-cyclopentyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]-N-methylpyridin-2-amine?
The canonical SMILES for 4-[2-cyclopentyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]-N-methylpyridin-2-amine is CNc1cc(-c2c3c(nc(C4CCCC4)c2-c2nn[nH]n2)CCCCC3)ccn1.
What is the InChIKey of 4-[2-cyclopentyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]-N-methylpyridin-2-amine?
The InChIKey is JDRDRUSGJUHXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7/c1-23-18-13-15(11-12-24-18)19-16-9-3-2-4-10-17(16)25-21(14-7-5-6-8-14)20(19)22-26-28-29-27-22/h11-14H,2-10H2,1H3,(H,23,24)(H,26,27,28,29).
What are the key properties of 4-[2-cyclopentyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]-N-methylpyridin-2-amine?
4-[2-cyclopentyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]-N-methylpyridin-2-amine has a molecular weight of 389.51 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopentyl-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 90042917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).