N-methyl-N-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-2-phenylacetamide

C22H21N7O — CID 130204467

IUPACN-methyl-N-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-2-phenylacetamide
SMILESCN(C(=O)Cc1ccccc1)c1ccc(-c2ccnc(Nc3ccnn3C)n2)cn1
InChIInChI=1S/C22H21N7O/c1-28(21(30)14-16-6-4-3-5-7-16)19-9-8-17(15-24-19)18-10-12-23-22(26-18)27-20-11-13-25-29(20)2/h3-13,15H,14H2,1-2H3,(H,23,26,27)
InChIKeyZQZQPJUEAKBDJN-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.22
Rot. Bonds6

About N-methyl-N-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-2-phenylacetamide

N-methyl-N-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-2-phenylacetamide (PubChem CID 130204467) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is N-methyl-N-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-methyl-N-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-2-phenylacetamide
PubChem CID130204467
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC NameN-methyl-N-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-2-phenylacetamide
SMILESCN(C(=O)Cc1ccccc1)c1ccc(-c2ccnc(Nc3ccnn3C)n2)cn1
InChIInChI=1S/C22H21N7O/c1-28(21(30)14-16-6-4-3-5-7-16)19-9-8-17(15-24-19)18-10-12-23-22(26-18)27-20-11-13-25-29(20)2/h3-13,15H,14H2,1-2H3,(H,23,26,27)
InChIKeyZQZQPJUEAKBDJN-UHFFFAOYSA-N
XLogP3.22
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methylpyrazol-3-yl)-4-[6-(2-phenylethylamino)-3-pyridinyl]pyrimidin-2-amine
CID 130204452
[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-phenylmethanone
CID 130204055
4-[1-[2-(2-chlorophenyl)ethyl]-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 130204317
(1R)-1-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-phenylethanol
CID 118216538
4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118209477
2-(3-chloro-4-pyridinyl)-1-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone
CID 130204056
ethane;N-(2-methylpyrazol-3-yl)-4-[1-(2-phenylethoxysulfanyl)-2,3-dihydroindol-5-yl]pyrimidin-2-amine
CID 145343942
2-(2-chlorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone
CID 138514289
6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydro-1H-isoindol-1-ol
CID 163423794
2-(2-chlorophenyl)-2,2-difluoro-1-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone
CID 130204594
1-[2-(2-bromophenyl)acetyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile
CID 130204511
4-[3-(benzenesulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118217082

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-methyl-N-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-2-phenylacetamide (CID 130204467) is N-methyl-N-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-methyl-N-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-methyl-N-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-2-phenylacetamide is CN(C(=O)Cc1ccccc1)c1ccc(-c2ccnc(Nc3ccnn3C)n2)cn1.
What is the InChIKey of N-methyl-N-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-2-phenylacetamide?
The InChIKey is ZQZQPJUEAKBDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-28(21(30)14-16-6-4-3-5-7-16)19-9-8-17(15-24-19)18-10-12-23-22(26-18)27-20-11-13-25-29(20)2/h3-13,15H,14H2,1-2H3,(H,23,26,27).
What are the key properties of N-methyl-N-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-2-phenylacetamide?
N-methyl-N-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-2-phenylacetamide has a molecular weight of 399.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 130204467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).