N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide

C19H28N4O2 — CID 111334026

IUPACN-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
SMILESCc1c(C#N)c(NC(=O)CN2CC[C@@H](O)C2)n(C2CCCCC2)c1C
InChIInChI=1S/C19H28N4O2/c1-13-14(2)23(15-6-4-3-5-7-15)19(17(13)10-20)21-18(25)12-22-9-8-16(24)11-22/h15-16,24H,3-9,11-12H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyRNZZFZJCQBRRSI-MRXNPFEDSA-N
MW344.46 g/mol
LogP2.49
Rot. Bonds4

About N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide

N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide (PubChem CID 111334026) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
PubChem CID111334026
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
SMILESCc1c(C#N)c(NC(=O)CN2CC[C@@H](O)C2)n(C2CCCCC2)c1C
InChIInChI=1S/C19H28N4O2/c1-13-14(2)23(15-6-4-3-5-7-15)19(17(13)10-20)21-18(25)12-22-9-8-16(24)11-22/h15-16,24H,3-9,11-12H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyRNZZFZJCQBRRSI-MRXNPFEDSA-N
XLogP2.49
TPSA81.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide (CID 111334026) is N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide is Cc1c(C#N)c(NC(=O)CN2CC[C@@H](O)C2)n(C2CCCCC2)c1C.
What is the InChIKey of N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide?
The InChIKey is RNZZFZJCQBRRSI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13-14(2)23(15-6-4-3-5-7-15)19(17(13)10-20)21-18(25)12-22-9-8-16(24)11-22/h15-16,24H,3-9,11-12H2,1-2H3,(H,21,25)/t16-/m1/s1.
What are the key properties of N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide?
N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide has a molecular weight of 344.46 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 111334026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).