N-(3-cyano-1-cyclopentylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide

C19H17N5O2 — CID 156780197

IUPACN-(3-cyano-1-cyclopentylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESN#Cc1cn(C2CCCC2)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12
InChIInChI=1S/C19H17N5O2/c20-9-12-10-24(14-3-1-2-4-14)17-6-5-13(7-15(12)17)23-19(26)16-8-18(25)22-11-21-16/h5-8,10-11,14H,1-4H2,(H,23,26)(H,21,22,25)
InChIKeyHEIJDJYVMJOKPR-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.96
Rot. Bonds3

About N-(3-cyano-1-cyclopentylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide

N-(3-cyano-1-cyclopentylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 156780197) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-(3-cyano-1-cyclopentylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-1-cyclopentylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID156780197
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-(3-cyano-1-cyclopentylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESN#Cc1cn(C2CCCC2)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12
InChIInChI=1S/C19H17N5O2/c20-9-12-10-24(14-3-1-2-4-14)17-6-5-13(7-15(12)17)23-19(26)16-8-18(25)22-11-21-16/h5-8,10-11,14H,1-4H2,(H,23,26)(H,21,22,25)
InChIKeyHEIJDJYVMJOKPR-UHFFFAOYSA-N
XLogP2.96
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.96
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-cyclopentylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(3-cyano-1-cyclopentylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 156780197) is N-(3-cyano-1-cyclopentylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-cyano-1-cyclopentylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-cyano-1-cyclopentylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide is N#Cc1cn(C2CCCC2)c2ccc(NC(=O)c3cc(=O)[nH]cn3)cc12.
What is the InChIKey of N-(3-cyano-1-cyclopentylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is HEIJDJYVMJOKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c20-9-12-10-24(14-3-1-2-4-14)17-6-5-13(7-15(12)17)23-19(26)16-8-18(25)22-11-21-16/h5-8,10-11,14H,1-4H2,(H,23,26)(H,21,22,25).
What are the key properties of N-(3-cyano-1-cyclopentylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
N-(3-cyano-1-cyclopentylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1-cyclopentylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 156780197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).