3-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]-1H-indole-6-carbonitrile

C21H22N6 — CID 89135798

IUPAC3-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]-1H-indole-6-carbonitrile
SMILESC=C1CC(Nc2nccc(-c3c[nH]c4cc(C#N)ccc34)n2)CC(C)(C)N1
InChIInChI=1S/C21H22N6/c1-13-8-15(10-21(2,3)27-13)25-20-23-7-6-18(26-20)17-12-24-19-9-14(11-22)4-5-16(17)19/h4-7,9,12,15,24,27H,1,8,10H2,2-3H3,(H,23,25,26)
InChIKeySZQLEPVEBXFLRM-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.95
Rot. Bonds3

About 3-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]-1H-indole-6-carbonitrile

3-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]-1H-indole-6-carbonitrile (PubChem CID 89135798) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 3-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name3-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]-1H-indole-6-carbonitrile
PubChem CID89135798
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name3-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]-1H-indole-6-carbonitrile
SMILESC=C1CC(Nc2nccc(-c3c[nH]c4cc(C#N)ccc34)n2)CC(C)(C)N1
InChIInChI=1S/C21H22N6/c1-13-8-15(10-21(2,3)27-13)25-20-23-7-6-18(26-20)17-12-24-19-9-14(11-22)4-5-16(17)19/h4-7,9,12,15,24,27H,1,8,10H2,2-3H3,(H,23,25,26)
InChIKeySZQLEPVEBXFLRM-UHFFFAOYSA-N
XLogP3.95
TPSA89.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]-1H-indole-6-carbonitrile with MolForge

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Related Compounds

N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(7-methoxy-1H-indol-3-yl)pyrimidin-2-amine
CID 89135693
4-(4-bromophenyl)-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine
CID 89135755
N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(5-piperazin-1-ylthiophen-2-yl)pyrimidin-2-amine
CID 89135674
3-[2-[[(3S)-5,5-difluoropiperidin-3-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]-1H-indole-6-carbonitrile
CID 73054577
3-[2-[[(3S)-6,6-dimethylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole-6-carbonitrile
CID 142751806
4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine
CID 89135670
[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 89135780
5-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]thiophene-2-sulfonamide
CID 89135743
[4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol
CID 89135742
N-cycloheptyl-4-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206403
1-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 89135741
N-cyclopropyl-4-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206885

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]-1H-indole-6-carbonitrile?
The IUPAC name of 3-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]-1H-indole-6-carbonitrile (CID 89135798) is 3-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]-1H-indole-6-carbonitrile.
What is the SMILES notation for 3-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]-1H-indole-6-carbonitrile?
The canonical SMILES for 3-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]-1H-indole-6-carbonitrile is C=C1CC(Nc2nccc(-c3c[nH]c4cc(C#N)ccc34)n2)CC(C)(C)N1.
What is the InChIKey of 3-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]-1H-indole-6-carbonitrile?
The InChIKey is SZQLEPVEBXFLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-13-8-15(10-21(2,3)27-13)25-20-23-7-6-18(26-20)17-12-24-19-9-14(11-22)4-5-16(17)19/h4-7,9,12,15,24,27H,1,8,10H2,2-3H3,(H,23,25,26).
What are the key properties of 3-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]-1H-indole-6-carbonitrile?
3-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]-1H-indole-6-carbonitrile has a molecular weight of 358.45 g/mol, XLogP of 3.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]-1H-indole-6-carbonitrile is sourced from PubChem (CID 89135798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).