2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]acetamide

C18H23N9O — CID 57428503

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]acetamide
SMILESCN(C)C1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-n3cccn3)n2)C1
InChIInChI=1S/C18H23N9O/c1-24(2)14-5-10-25(12-14)13-17(28)21-15-11-16(26-8-3-6-19-26)23-18(22-15)27-9-4-7-20-27/h3-4,6-9,11,14H,5,10,12-13H2,1-2H3,(H,21,22,23,28)
InChIKeyGUYHKKVKJWECFG-UHFFFAOYSA-N
MW381.44 g/mol
LogP0.42
Rot. Bonds6

About 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]acetamide

2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]acetamide (PubChem CID 57428503) has the molecular formula C18H23N9O and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]acetamide
PubChem CID57428503
Molecular FormulaC18H23N9O
Molecular Weight381.44 g/mol
Exact Mass381.20
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]acetamide
SMILESCN(C)C1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-n3cccn3)n2)C1
InChIInChI=1S/C18H23N9O/c1-24(2)14-5-10-25(12-14)13-17(28)21-15-11-16(26-8-3-6-19-26)23-18(22-15)27-9-4-7-20-27/h3-4,6-9,11,14H,5,10,12-13H2,1-2H3,(H,21,22,23,28)
InChIKeyGUYHKKVKJWECFG-UHFFFAOYSA-N
XLogP0.42
TPSA97.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63165957
N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63164005
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
CID 57428369
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[[4-[[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]acetyl]amino]phenyl]methyl]phenyl]acetamide
CID 53322175
2-(4-methylpiperazin-1-yl)-N-[2-(1,2-oxazol-3-yl)-6-pyrazol-1-ylpyrimidin-4-yl]acetamide
CID 57428508
N-(4-amino-2-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63166002
N-[(3,4-dichlorophenyl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 124852047
2-[3-(dimethylamino)pyrrolidin-1-yl]-1-phenylethanone
CID 63165103
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide
CID 131904290
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]acetamide
CID 91843779
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 91781842
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 91796252

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]acetamide (CID 57428503) is 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]acetamide is CN(C)C1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-n3cccn3)n2)C1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]acetamide?
The InChIKey is GUYHKKVKJWECFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N9O/c1-24(2)14-5-10-25(12-14)13-17(28)21-15-11-16(26-8-3-6-19-26)23-18(22-15)27-9-4-7-20-27/h3-4,6-9,11,14H,5,10,12-13H2,1-2H3,(H,21,22,23,28).
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]acetamide?
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]acetamide has a molecular weight of 381.44 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[2,6-di(pyrazol-1-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 57428503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).