N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide

C20H25N7O2 — CID 25074004

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide
SMILESCOCCN(C)c1cccc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)n1
InChIInChI=1S/C20H25N7O2/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-7-6-8-19(22-16)26(4)9-10-29-5/h6-8,11-12H,9-10H2,1-5H3,(H,21,23,24,28)
InChIKeyDYRFUYFXUGUOIA-UHFFFAOYSA-N
MW395.47 g/mol
LogP2.38
Rot. Bonds7

About N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide (PubChem CID 25074004) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide
PubChem CID25074004
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide
SMILESCOCCN(C)c1cccc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)n1
InChIInChI=1S/C20H25N7O2/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-7-6-8-19(22-16)26(4)9-10-29-5/h6-8,11-12H,9-10H2,1-5H3,(H,21,23,24,28)
InChIKeyDYRFUYFXUGUOIA-UHFFFAOYSA-N
XLogP2.38
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(morpholin-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25069914
Acetamide, N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methoxy-1-piperidinyl)-2-pyridinyl]-4-pyrimidinyl]-
CID 25074316
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(dimethylamino)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138086
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(pyrrolidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138087
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(piperidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138088
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138090
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(3-methoxyazetidin-1-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25138091
2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]acetamide
CID 24768411
N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768412
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[4-(morpholin-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25069599
N-[6-(6-aminopyridin-2-yl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl]acetamide
CID 25069603
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(morpholin-4-yl)pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 25074313

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide (CID 25074004) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide is COCCN(C)c1cccc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide?
The InChIKey is DYRFUYFXUGUOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-13-11-14(2)27(25-13)20-23-17(12-18(24-20)21-15(3)28)16-7-6-8-19(22-16)26(4)9-10-29-5/h6-8,11-12H,9-10H2,1-5H3,(H,21,23,24,28).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide has a molecular weight of 395.47 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[6-[2-methoxyethyl(methyl)amino]-2-pyridinyl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 25074004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).