3-[2-methyl-6-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]propanamide

C17H22N6O2 — CID 127244916

IUPAC3-[2-methyl-6-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]propanamide
SMILESCc1nc(CCC(N)=O)cc(C2CCCN2C(=O)c2cnn(C)c2)n1
InChIInChI=1S/C17H22N6O2/c1-11-20-13(5-6-16(18)24)8-14(21-11)15-4-3-7-23(15)17(25)12-9-19-22(2)10-12/h8-10,15H,3-7H2,1-2H3,(H2,18,24)
InChIKeySYCVXVJPEKURRY-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.91
Rot. Bonds5

About 3-[2-methyl-6-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]propanamide

3-[2-methyl-6-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]propanamide (PubChem CID 127244916) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[2-methyl-6-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]propanamide.

Molecular Properties

Compound Name3-[2-methyl-6-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]propanamide
PubChem CID127244916
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name3-[2-methyl-6-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]propanamide
SMILESCc1nc(CCC(N)=O)cc(C2CCCN2C(=O)c2cnn(C)c2)n1
InChIInChI=1S/C17H22N6O2/c1-11-20-13(5-6-16(18)24)8-14(21-11)15-4-3-7-23(15)17(25)12-9-19-22(2)10-12/h8-10,15H,3-7H2,1-2H3,(H2,18,24)
InChIKeySYCVXVJPEKURRY-UHFFFAOYSA-N
XLogP0.91
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide
CID 95826823
3-[6-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-4-yl]propanamide
CID 95827338
[2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110258834
[(2R)-2-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95845828
[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110254706
(1-ethylpyrazol-4-yl)-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 125009135
[2-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110271090
N-[[6-[(2R)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124995506
1-[4-[2-methyl-6-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-4-pyridinyl]piperazin-1-yl]ethanone
CID 92619920
[2-(4-chlorophenyl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 42953217
2-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 95569382
(1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95824584

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]propanamide?
The IUPAC name of 3-[2-methyl-6-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]propanamide (CID 127244916) is 3-[2-methyl-6-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]propanamide.
What is the SMILES notation for 3-[2-methyl-6-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]propanamide?
The canonical SMILES for 3-[2-methyl-6-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]propanamide is Cc1nc(CCC(N)=O)cc(C2CCCN2C(=O)c2cnn(C)c2)n1.
What is the InChIKey of 3-[2-methyl-6-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]propanamide?
The InChIKey is SYCVXVJPEKURRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-11-20-13(5-6-16(18)24)8-14(21-11)15-4-3-7-23(15)17(25)12-9-19-22(2)10-12/h8-10,15H,3-7H2,1-2H3,(H2,18,24).
What are the key properties of 3-[2-methyl-6-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]propanamide?
3-[2-methyl-6-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]propanamide has a molecular weight of 342.40 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]propanamide is sourced from PubChem (CID 127244916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).