N-cyclopropyl-2-methyl-4-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine-5-carboxamide

C20H28N6O3S — CID 110085104

IUPACN-cyclopropyl-2-methyl-4-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine-5-carboxamide
SMILESCCCn1cc(S(=O)(=O)N2CCCC2c2nc(C)ncc2C(=O)NC2CC2)c(C)n1
InChIInChI=1S/C20H28N6O3S/c1-4-9-25-12-18(13(2)24-25)30(28,29)26-10-5-6-17(26)19-16(11-21-14(3)22-19)20(27)23-15-7-8-15/h11-12,15,17H,4-10H2,1-3H3,(H,23,27)
InChIKeyPKZSCBKTDJBFQE-UHFFFAOYSA-N
MW432.55 g/mol
LogP2.12
Rot. Bonds7

About N-cyclopropyl-2-methyl-4-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine-5-carboxamide

N-cyclopropyl-2-methyl-4-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine-5-carboxamide (PubChem CID 110085104) has the molecular formula C20H28N6O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-4-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-4-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine-5-carboxamide
PubChem CID110085104
Molecular FormulaC20H28N6O3S
Molecular Weight432.55 g/mol
Exact Mass432.19
IUPAC NameN-cyclopropyl-2-methyl-4-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine-5-carboxamide
SMILESCCCn1cc(S(=O)(=O)N2CCCC2c2nc(C)ncc2C(=O)NC2CC2)c(C)n1
InChIInChI=1S/C20H28N6O3S/c1-4-9-25-12-18(13(2)24-25)30(28,29)26-10-5-6-17(26)19-16(11-21-14(3)22-19)20(27)23-15-7-8-15/h11-12,15,17H,4-10H2,1-3H3,(H,23,27)
InChIKeyPKZSCBKTDJBFQE-UHFFFAOYSA-N
XLogP2.12
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-4-[1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 110085045
4-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-cyclohexyl-2-methylpyrimidine-5-carboxamide
CID 124959856
N-cyclohexyl-4-[(2R)-1-(dimethylsulfamoyl)piperidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 92640403
6-methyl-N-[6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyridin-2-amine
CID 95835761
6-[(2S)-1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 95835763
4-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-N-cyclopropyl-2-methylpyrimidine-5-carboxamide
CID 110085100
N-cyclohexyl-4-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 110085066
3-methyl-1-propyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]pyrazole-4-carboxamide
CID 56710020
N-cyclohexyl-2-methyl-4-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 110248299
N-[[2-methyl-4-(1-propylsulfonylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]acetamide
CID 110116834
N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide
CID 66877554
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 45188448

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-4-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-cyclopropyl-2-methyl-4-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine-5-carboxamide (CID 110085104) is N-cyclopropyl-2-methyl-4-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-4-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-2-methyl-4-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine-5-carboxamide is CCCn1cc(S(=O)(=O)N2CCCC2c2nc(C)ncc2C(=O)NC2CC2)c(C)n1.
What is the InChIKey of N-cyclopropyl-2-methyl-4-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is PKZSCBKTDJBFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O3S/c1-4-9-25-12-18(13(2)24-25)30(28,29)26-10-5-6-17(26)19-16(11-21-14(3)22-19)20(27)23-15-7-8-15/h11-12,15,17H,4-10H2,1-3H3,(H,23,27).
What are the key properties of N-cyclopropyl-2-methyl-4-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine-5-carboxamide?
N-cyclopropyl-2-methyl-4-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-4-[1-(3-methyl-1-propylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 110085104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).