N,4-dimethyl-1-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide

C21H28N8O — CID 90183817

IUPACN,4-dimethyl-1-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nccc(Nc3cc4c(cn3)ncn4C(C)C)n2)CC1
InChIInChI=1S/C21H28N8O/c1-14(2)29-13-25-15-12-24-18(11-16(15)29)26-17-5-8-23-20(27-17)28-9-6-21(3,7-10-28)19(30)22-4/h5,8,11-14H,6-7,9-10H2,1-4H3,(H,22,30)(H,23,24,26,27)
InChIKeyJUXNELBSUKUREV-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.90
Rot. Bonds5

About N,4-dimethyl-1-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide

N,4-dimethyl-1-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 90183817) has the molecular formula C21H28N8O and a molecular weight of 408.51 g/mol. Its IUPAC name is N,4-dimethyl-1-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-1-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID90183817
Molecular FormulaC21H28N8O
Molecular Weight408.51 g/mol
Exact Mass408.24
IUPAC NameN,4-dimethyl-1-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nccc(Nc3cc4c(cn3)ncn4C(C)C)n2)CC1
InChIInChI=1S/C21H28N8O/c1-14(2)29-13-25-15-12-24-18(11-16(15)29)26-17-5-8-23-20(27-17)28-9-6-21(3,7-10-28)19(30)22-4/h5,8,11-14H,6-7,9-10H2,1-4H3,(H,22,30)(H,23,24,26,27)
InChIKeyJUXNELBSUKUREV-UHFFFAOYSA-N
XLogP2.90
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 90183273
N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;formic acid
CID 118661932
3-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecane
CID 158727264
1-[6-[[2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl]pyrrolidine-3,4-diol
CID 123868629
2-methyl-1-propan-2-yl-N-[2-(4-propan-2-ylsulfinylpiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
CID 129271175
6-[[2-(3,3-dimethylpiperidin-1-yl)pyrimidin-4-yl]amino]-N-methyl-4-propan-2-yl-2,7-naphthyridine-1-carboxamide
CID 166549979
2-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)methyl]pyrimidin-2-yl]-2-azaspiro[4.4]nonan-9-one
CID 159766689
2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 144632896
N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322389
2-methyl-N-[2-(4-methylsulfonylpiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 91971390
2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;molecular hydrogen
CID 144632895
1-[4-[[8-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-4-methylpiperidin-4-ol
CID 167276876

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N,4-dimethyl-1-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide (CID 90183817) is N,4-dimethyl-1-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N,4-dimethyl-1-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N,4-dimethyl-1-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide is CNC(=O)C1(C)CCN(c2nccc(Nc3cc4c(cn3)ncn4C(C)C)n2)CC1.
What is the InChIKey of N,4-dimethyl-1-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is JUXNELBSUKUREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O/c1-14(2)29-13-25-15-12-24-18(11-16(15)29)26-17-5-8-23-20(27-17)28-9-6-21(3,7-10-28)19(30)22-4/h5,8,11-14H,6-7,9-10H2,1-4H3,(H,22,30)(H,23,24,26,27).
What are the key properties of N,4-dimethyl-1-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide?
N,4-dimethyl-1-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-[4-[(1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90183817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).