(1S,9R)-5-amino-3-[6-(dimethylamino)-3-pyridinyl]-12-methyl-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile

C19H22N6 — CID 133111269

IUPAC(1S,9R)-5-amino-3-[6-(dimethylamino)-3-pyridinyl]-12-methyl-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile
SMILESCN(C)c1ccc(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H](C3)N2C)cn1
InChIInChI=1S/C19H22N6/c1-24(2)16-7-4-11(10-22-16)17-13(9-20)19(21)23-14-8-12-5-6-15(18(14)17)25(12)3/h4,7,10,12,15H,5-6,8H2,1-3H3,(H2,21,23)/t12-,15+/m1/s1
InChIKeyWSIJRXIPZPBNGU-DOMZBBRYSA-N
MW334.43 g/mol
LogP2.35
Rot. Bonds2

About (1S,9R)-5-amino-3-[6-(dimethylamino)-3-pyridinyl]-12-methyl-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile

(1S,9R)-5-amino-3-[6-(dimethylamino)-3-pyridinyl]-12-methyl-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile (PubChem CID 133111269) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is (1S,9R)-5-amino-3-[6-(dimethylamino)-3-pyridinyl]-12-methyl-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile.

Molecular Properties

Compound Name(1S,9R)-5-amino-3-[6-(dimethylamino)-3-pyridinyl]-12-methyl-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile
PubChem CID133111269
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name(1S,9R)-5-amino-3-[6-(dimethylamino)-3-pyridinyl]-12-methyl-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile
SMILESCN(C)c1ccc(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H](C3)N2C)cn1
InChIInChI=1S/C19H22N6/c1-24(2)16-7-4-11(10-22-16)17-13(9-20)19(21)23-14-8-12-5-6-15(18(14)17)25(12)3/h4,7,10,12,15H,5-6,8H2,1-3H3,(H2,21,23)/t12-,15+/m1/s1
InChIKeyWSIJRXIPZPBNGU-DOMZBBRYSA-N
XLogP2.35
TPSA82.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S,9R)-5-amino-3-[6-(dimethylamino)-3-pyridinyl]-12-methyl-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,9S)-5-amino-3-(2-methoxypyrimidin-5-yl)-12-methyl-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile
CID 56743869
2-amino-4-[6-(dimethylamino)-3-pyridinyl]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 56886021
(1R,9S)-5-amino-3-(2,5-dimethoxyphenyl)-12-methyl-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile
CID 56750197
(1R,9S)-5-amino-3-(6-chloro-2-fluoro-3-methoxyphenyl)-12-methyl-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile
CID 56863305
(1S,9R)-5-amino-3-[3-(2-hydroxyethoxy)phenyl]-13-methyl-6,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carbonitrile
CID 164632574
(1R,9S)-5-amino-12-cyclopentyl-3-(1-ethylpyrazol-4-yl)-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile
CID 56879607
2-amino-6-butanoyl-4-[6-(dimethylamino)-3-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 56913064
(1R,9S)-5-amino-12-cyclopentyl-3-(1,3-thiazol-5-yl)-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile;formic acid
CID 171709760
2-amino-4-(4-cyanophenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5192069
(6S)-2-amino-4-(4-fluorophenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 728885
2-amino-4-(4-ethylphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3277965
2-amino-4-[6-(dimethylamino)-3-pyridinyl]-6-(4-hydroxy-3-methoxyphenyl)pyridine-3-carbonitrile
CID 135990769

Frequently Asked Questions

What is the IUPAC name of (1S,9R)-5-amino-3-[6-(dimethylamino)-3-pyridinyl]-12-methyl-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile?
The IUPAC name of (1S,9R)-5-amino-3-[6-(dimethylamino)-3-pyridinyl]-12-methyl-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile (CID 133111269) is (1S,9R)-5-amino-3-[6-(dimethylamino)-3-pyridinyl]-12-methyl-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile.
What is the SMILES notation for (1S,9R)-5-amino-3-[6-(dimethylamino)-3-pyridinyl]-12-methyl-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile?
The canonical SMILES for (1S,9R)-5-amino-3-[6-(dimethylamino)-3-pyridinyl]-12-methyl-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile is CN(C)c1ccc(-c2c(C#N)c(N)nc3c2[C@@H]2CC[C@H](C3)N2C)cn1.
What is the InChIKey of (1S,9R)-5-amino-3-[6-(dimethylamino)-3-pyridinyl]-12-methyl-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile?
The InChIKey is WSIJRXIPZPBNGU-DOMZBBRYSA-N. The full InChI is InChI=1S/C19H22N6/c1-24(2)16-7-4-11(10-22-16)17-13(9-20)19(21)23-14-8-12-5-6-15(18(14)17)25(12)3/h4,7,10,12,15H,5-6,8H2,1-3H3,(H2,21,23)/t12-,15+/m1/s1.
What are the key properties of (1S,9R)-5-amino-3-[6-(dimethylamino)-3-pyridinyl]-12-methyl-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile?
(1S,9R)-5-amino-3-[6-(dimethylamino)-3-pyridinyl]-12-methyl-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile has a molecular weight of 334.43 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R)-5-amino-3-[6-(dimethylamino)-3-pyridinyl]-12-methyl-6,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carbonitrile is sourced from PubChem (CID 133111269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).