N-[3-cyano-1-(3-methylbut-2-enyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide

C19H17N5O2 — CID 156780191

IUPACN-[3-cyano-1-(3-methylbut-2-enyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)=CCn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21
InChIInChI=1S/C19H17N5O2/c1-12(2)5-6-24-10-13(9-20)15-7-14(3-4-17(15)24)23-19(26)16-8-18(25)22-11-21-16/h3-5,7-8,10-11H,6H2,1-2H3,(H,23,26)(H,21,22,25)
InChIKeyCMLPDPONKNKCDC-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.81
Rot. Bonds4

About N-[3-cyano-1-(3-methylbut-2-enyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide

N-[3-cyano-1-(3-methylbut-2-enyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 156780191) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is N-[3-cyano-1-(3-methylbut-2-enyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-1-(3-methylbut-2-enyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID156780191
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC NameN-[3-cyano-1-(3-methylbut-2-enyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)=CCn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21
InChIInChI=1S/C19H17N5O2/c1-12(2)5-6-24-10-13(9-20)15-7-14(3-4-17(15)24)23-19(26)16-8-18(25)22-11-21-16/h3-5,7-8,10-11H,6H2,1-2H3,(H,23,26)(H,21,22,25)
InChIKeyCMLPDPONKNKCDC-UHFFFAOYSA-N
XLogP2.81
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[3-cyano-1-(3-methylbut-2-enyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acetamido deriv. 12
CID 6539894
Acetamido deriv. 13
CID 6539895
4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide
CID 90465832
3-(3-(4-(4-(2-oxopyridin-1(2H)-yl)phenyl)piperazin-1-yl)propyl)-1H-indole-5-carbonitrile
CID 118190850
3-(4-(4-(4-(2-oxopyridin-1(2H)-yl)phenyl)piperazin-1-yl)butyl)-1H-indole-5-carbonitrile
CID 118190877
3-(4-(4-(4-(4-methyl-2-oxopyridin-1(2H)-yl)phenyl)piperazin-1-yl)butyl)-1H-indole-5-carbonitrile
CID 118191015
3-(3-(4-(4-(4-methyl-2-oxopyridin-1(2H)-yl)phenyl)piperazin-1-yl)propyl)-1H-indole-5-carbonitrile
CID 118191016
TR100
CID 25224808
2-Cyano-N-cyclopropyl-3-{1-[(2-methoxy-ethylcarbamoyl)-methyl]-1H-indol-3-yl}-acrylamide
CID 5767023
2-(3-Cyano-indol-1-yl)-N-[2-(1H-indol-3-yl)-ethyl]-acetamide
CID 648226
2-(3-cyano-1H-indol-1-yl)-N-(3-pyridinylmethyl)acetamide
CID 894234
2-Cyano-N-cyclopentyl-3-{1-[(2-methoxy-ethylcarbamoyl)-methyl]-1H-indol-3-yl}-acrylamide
CID 5767022

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-1-(3-methylbut-2-enyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[3-cyano-1-(3-methylbut-2-enyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 156780191) is N-[3-cyano-1-(3-methylbut-2-enyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-cyano-1-(3-methylbut-2-enyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-cyano-1-(3-methylbut-2-enyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide is CC(C)=CCn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21.
What is the InChIKey of N-[3-cyano-1-(3-methylbut-2-enyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is CMLPDPONKNKCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-12(2)5-6-24-10-13(9-20)15-7-14(3-4-17(15)24)23-19(26)16-8-18(25)22-11-21-16/h3-5,7-8,10-11H,6H2,1-2H3,(H,23,26)(H,21,22,25).
What are the key properties of N-[3-cyano-1-(3-methylbut-2-enyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
N-[3-cyano-1-(3-methylbut-2-enyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.81, 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-(3-methylbut-2-enyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 156780191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).