N-(1-cyanocyclohexyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide

C16H19N7O — CID 126841344

IUPACN-(1-cyanocyclohexyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide
SMILESN#CC1(NC(=O)CNc2cnn(-c3ncccn3)c2)CCCCC1
InChIInChI=1S/C16H19N7O/c17-12-16(5-2-1-3-6-16)22-14(24)10-20-13-9-21-23(11-13)15-18-7-4-8-19-15/h4,7-9,11,20H,1-3,5-6,10H2,(H,22,24)
InChIKeyLWJXLCRGZAEVHA-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.42
Rot. Bonds5

About N-(1-cyanocyclohexyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide

N-(1-cyanocyclohexyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide (PubChem CID 126841344) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide
PubChem CID126841344
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC NameN-(1-cyanocyclohexyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide
SMILESN#CC1(NC(=O)CNc2cnn(-c3ncccn3)c2)CCCCC1
InChIInChI=1S/C16H19N7O/c17-12-16(5-2-1-3-6-16)22-14(24)10-20-13-9-21-23(11-13)15-18-7-4-8-19-15/h4,7-9,11,20H,1-3,5-6,10H2,(H,22,24)
InChIKeyLWJXLCRGZAEVHA-UHFFFAOYSA-N
XLogP1.42
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(8-((2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)amino)-2-azaspiro[4.5]decan-2-yl)-3-oxopropanenitrile
CID 118389988
N-(2-((2-(1H-pyrazol-1-yl)pyrimidin-5-yl)amino)-2-oxoethyl)butyramide
CID 73167993
N-[4-(cyanomethyl)-1-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]piperidin-4-yl]-3,3,3-trifluoropropanamide
CID 150004504
2,2-difluoro-N-[4-methyl-1-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 153525527
2-(1H-pyrazol-1-yl)-N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]acetamide
CID 131918199
2-[4-[[4-[[(2R)-1-(2-cyanoethyl)pyrrolidin-2-yl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylacetamide
CID 71611773
2-[4-[[4-[[1-(2-cyanoethyl)pyrrolidin-2-yl]methylamino]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylacetamide
CID 78132857
2-[4-[[4-[(3R)-3-cyano-3-ethyl-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]-N-methylacetamide
CID 89863414
1-[2-[(1-Tert-butylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-ethyl-2-oxopyrrolidine-3-carbonitrile
CID 89863451
N-tert-butyl-2-[4-[[4-[(3R)-3-cyano-3-ethyl-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide
CID 117840234
2-[4-[[4-[(3S)-3-cyano-2-oxo-3-propan-2-ylpyrrolidin-1-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]-N,2-dimethylpropanamide
CID 117840362
1-[2-[(1-Methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-oxo-3-propylpyrrolidine-3-carbonitrile
CID 117840914

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide (CID 126841344) is N-(1-cyanocyclohexyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide is N#CC1(NC(=O)CNc2cnn(-c3ncccn3)c2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide?
The InChIKey is LWJXLCRGZAEVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c17-12-16(5-2-1-3-6-16)22-14(24)10-20-13-9-21-23(11-13)15-18-7-4-8-19-15/h4,7-9,11,20H,1-3,5-6,10H2,(H,22,24).
What are the key properties of N-(1-cyanocyclohexyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide?
N-(1-cyanocyclohexyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide has a molecular weight of 325.38 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide is sourced from PubChem (CID 126841344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).