2-(3-cyanoanilino)-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide

C22H29N7O — CID 68665340

IUPAC2-(3-cyanoanilino)-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide
SMILESCN1C(C)(C)CC(Nc2nc(Nc3cccc(C#N)c3)ncc2C(N)=O)CC1(C)C
InChIInChI=1S/C22H29N7O/c1-21(2)10-16(11-22(3,4)29(21)5)26-19-17(18(24)30)13-25-20(28-19)27-15-8-6-7-14(9-15)12-23/h6-9,13,16H,10-11H2,1-5H3,(H2,24,30)(H2,25,26,27,28)
InChIKeyKKDHNNBENATLCK-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.25
Rot. Bonds5

About 2-(3-cyanoanilino)-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide

2-(3-cyanoanilino)-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide (PubChem CID 68665340) has the molecular formula C22H29N7O and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide
PubChem CID68665340
Molecular FormulaC22H29N7O
Molecular Weight407.52 g/mol
Exact Mass407.24
IUPAC Name2-(3-cyanoanilino)-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide
SMILESCN1C(C)(C)CC(Nc2nc(Nc3cccc(C#N)c3)ncc2C(N)=O)CC1(C)C
InChIInChI=1S/C22H29N7O/c1-21(2)10-16(11-22(3,4)29(21)5)26-19-17(18(24)30)13-25-20(28-19)27-15-8-6-7-14(9-15)12-23/h6-9,13,16H,10-11H2,1-5H3,(H2,24,30)(H2,25,26,27,28)
InChIKeyKKDHNNBENATLCK-UHFFFAOYSA-N
XLogP3.25
TPSA119.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(3-cyanoanilino)-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide 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

3-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]benzamide
CID 68665074
2-[3-chloro-4-(4-methylsulfonylpiperazin-1-yl)anilino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide
CID 68665616
2-[3,5-bis(2,2,2-trifluoroethoxy)anilino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide
CID 87535151
2-[3-(4-methoxy-5-propyl-5H-tetrazol-1-yl)anilino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide
CID 89406435
2-[4-fluoro-3-(tetrazol-1-yl)anilino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide
CID 68665094
2-[4-ethoxy-3-(5-ethyltetrazol-1-yl)anilino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide
CID 68665771
3-[[5-fluoro-4-[methyl-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]benzonitrile
CID 68665363
2-chloro-4-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]benzonitrile
CID 68666219
1-[3-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-methyltetrazol-5-one
CID 53237353
2-(3-chloro-4-methoxyanilino)-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carbonitrile
CID 68665824
4-(cyclopropylamino)-2-[3-(1,2,4-triazol-1-yl)anilino]pyrimidine-5-carboxamide
CID 44540822
2-[3-(difluoromethoxy)-4-methoxyanilino]-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carbonitrile
CID 68665915

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-cyanoanilino)-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide (CID 68665340) is 2-(3-cyanoanilino)-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-cyanoanilino)-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-cyanoanilino)-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide is CN1C(C)(C)CC(Nc2nc(Nc3cccc(C#N)c3)ncc2C(N)=O)CC1(C)C.
What is the InChIKey of 2-(3-cyanoanilino)-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is KKDHNNBENATLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O/c1-21(2)10-16(11-22(3,4)29(21)5)26-19-17(18(24)30)13-25-20(28-19)27-15-8-6-7-14(9-15)12-23/h6-9,13,16H,10-11H2,1-5H3,(H2,24,30)(H2,25,26,27,28).
What are the key properties of 2-(3-cyanoanilino)-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide?
2-(3-cyanoanilino)-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoanilino)-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 68665340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).