N-(pyridin-3-ylmethyl)spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine

C19H22N6 — CID 171844280

IUPACN-(pyridin-3-ylmethyl)spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine
SMILESc1cncc(CNc2c3c(nc4ccnn24)C2(CCNCC2)CC3)c1
InChIInChI=1S/C19H22N6/c1-2-14(12-21-8-1)13-22-18-15-3-5-19(6-10-20-11-7-19)17(15)24-16-4-9-23-25(16)18/h1-2,4,8-9,12,20,22H,3,5-7,10-11,13H2
InChIKeyXNIWWWGXOYWVOL-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.30
Rot. Bonds3

About N-(pyridin-3-ylmethyl)spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine

N-(pyridin-3-ylmethyl)spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine (PubChem CID 171844280) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine
PubChem CID171844280
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC NameN-(pyridin-3-ylmethyl)spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine
SMILESc1cncc(CNc2c3c(nc4ccnn24)C2(CCNCC2)CC3)c1
InChIInChI=1S/C19H22N6/c1-2-14(12-21-8-1)13-22-18-15-3-5-19(6-10-20-11-7-19)17(15)24-16-4-9-23-25(16)18/h1-2,4,8-9,12,20,22H,3,5-7,10-11,13H2
InChIKeyXNIWWWGXOYWVOL-UHFFFAOYSA-N
XLogP2.30
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-ylamino)methyl]benzonitrile
CID 171844260
10-chloro-N-[(3-chlorophenyl)methyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine;dihydrochloride
CID 171844218
trans-(1S,3S)-3-N-spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-ylcyclopentane-1,3-diamine
CID 171844298
10-chloro-N-[(6-chloro-3-pyridinyl)methyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine
CID 171844319
2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 117003122
1'-propyl-2-pyridin-3-yl-N-(pyridin-3-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-amine
CID 155911308
10-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclohexane]-2-amine
CID 171844478
4-(pyridin-3-ylmethyl)piperidin-4-amine
CID 86277721
N-[(1S,3S)-3-(aminomethyl)cyclopentyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine
CID 171844266
3-methyl-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 107424178
N-[(2-pyrazol-1-ylphenyl)methyl]spiro[1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine
CID 171844211
4-[[(10-chlorospiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-yl)amino]methyl]benzamide
CID 171844288

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine (CID 171844280) is N-(pyridin-3-ylmethyl)spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine is c1cncc(CNc2c3c(nc4ccnn24)C2(CCNCC2)CC3)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine?
The InChIKey is XNIWWWGXOYWVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-2-14(12-21-8-1)13-22-18-15-3-5-19(6-10-20-11-7-19)17(15)24-16-4-9-23-25(16)18/h1-2,4,8-9,12,20,22H,3,5-7,10-11,13H2.
What are the key properties of N-(pyridin-3-ylmethyl)spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine?
N-(pyridin-3-ylmethyl)spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine has a molecular weight of 334.43 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine is sourced from PubChem (CID 171844280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).