N,N-dimethyl-7-(4-oxocyclohexyl)-2-(pyridin-2-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide

C20H22N6O2 — CID 67239800

IUPACN,N-dimethyl-7-(4-oxocyclohexyl)-2-(pyridin-2-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccccn3)nc2n1C1CCC(=O)CC1
InChIInChI=1S/C20H22N6O2/c1-25(2)19(28)16-11-13-12-22-20(23-17-5-3-4-10-21-17)24-18(13)26(16)14-6-8-15(27)9-7-14/h3-5,10-12,14H,6-9H2,1-2H3,(H,21,22,23,24)
InChIKeyZQKYFHWJPXTRCR-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.96
Rot. Bonds4

About N,N-dimethyl-7-(4-oxocyclohexyl)-2-(pyridin-2-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide

N,N-dimethyl-7-(4-oxocyclohexyl)-2-(pyridin-2-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 67239800) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N,N-dimethyl-7-(4-oxocyclohexyl)-2-(pyridin-2-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7-(4-oxocyclohexyl)-2-(pyridin-2-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID67239800
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN,N-dimethyl-7-(4-oxocyclohexyl)-2-(pyridin-2-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3ccccn3)nc2n1C1CCC(=O)CC1
InChIInChI=1S/C20H22N6O2/c1-25(2)19(28)16-11-13-12-22-20(23-17-5-3-4-10-21-17)24-18(13)26(16)14-6-8-15(27)9-7-14/h3-5,10-12,14H,6-9H2,1-2H3,(H,21,22,23,24)
InChIKeyZQKYFHWJPXTRCR-UHFFFAOYSA-N
XLogP2.96
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-7-(4-oxocyclohexyl)-2-(pyridin-2-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

7-cyclopentyl-2-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 58315425
2-(4-acetamidoanilino)-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 178155437
7-cyclopentyl-N,N-dimethyl-2-[[5-(4-methyl-7-oxo-1,4-diazepan-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 126538869
4-[6-[[7-cyclopentyl-6-(dimethylcarbamoyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylic acid
CID 67496418
7-cyclopentyl-N,N-dimethyl-2-[[5-(3-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44818402
7-cyclopentyl-2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44819647
2-[[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 146244200
7-cycloheptyl-N,N-dimethyl-2-[[5-(7-oxo-2-azabicyclo[2.2.1]heptane-2-carbonyl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 163909708
7-cyclohexyl-N,N-dimethyl-2-[[5-(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 67355554
2-[[5-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-2-pyridinyl]amino]-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44818221
7-cyclopentyl-2-[[5-[4-(3-hydroxypropyl)piperazin-1-yl]-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 44818580
7-cyclopentyl-2-[[5-(3,9-diazabicyclo[3.3.1]nonane-3-carbonyl)-2-pyridinyl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide;methane
CID 157389733

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-(4-oxocyclohexyl)-2-(pyridin-2-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N,N-dimethyl-7-(4-oxocyclohexyl)-2-(pyridin-2-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 67239800) is N,N-dimethyl-7-(4-oxocyclohexyl)-2-(pyridin-2-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,N-dimethyl-7-(4-oxocyclohexyl)-2-(pyridin-2-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,N-dimethyl-7-(4-oxocyclohexyl)-2-(pyridin-2-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3ccccn3)nc2n1C1CCC(=O)CC1.
What is the InChIKey of N,N-dimethyl-7-(4-oxocyclohexyl)-2-(pyridin-2-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZQKYFHWJPXTRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-25(2)19(28)16-11-13-12-22-20(23-17-5-3-4-10-21-17)24-18(13)26(16)14-6-8-15(27)9-7-14/h3-5,10-12,14H,6-9H2,1-2H3,(H,21,22,23,24).
What are the key properties of N,N-dimethyl-7-(4-oxocyclohexyl)-2-(pyridin-2-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide?
N,N-dimethyl-7-(4-oxocyclohexyl)-2-(pyridin-2-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-(4-oxocyclohexyl)-2-(pyridin-2-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 67239800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).