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

C18H17N5O2 — CID 156780179

IUPACN-[3-cyano-1-(2-methylpropyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21
InChIInChI=1S/C18H17N5O2/c1-11(2)8-23-9-12(7-19)14-5-13(3-4-16(14)23)22-18(25)15-6-17(24)21-10-20-15/h3-6,9-11H,8H2,1-2H3,(H,22,25)(H,20,21,24)
InChIKeyFPFNDWVXUASQLC-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.50
Rot. Bonds4

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

N-[3-cyano-1-(2-methylpropyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 156780179) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[3-cyano-1-(2-methylpropyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-1-(2-methylpropyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID156780179
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[3-cyano-1-(2-methylpropyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21
InChIInChI=1S/C18H17N5O2/c1-11(2)8-23-9-12(7-19)14-5-13(3-4-16(14)23)22-18(25)15-6-17(24)21-10-20-15/h3-6,9-11H,8H2,1-2H3,(H,22,25)(H,20,21,24)
InChIKeyFPFNDWVXUASQLC-UHFFFAOYSA-N
XLogP2.50
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 156442379
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
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
N-(1H-Indol-6-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 9931673
5-(acetyl)amino-3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 9993234

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-1-(2-methylpropyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[3-cyano-1-(2-methylpropyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 156780179) is N-[3-cyano-1-(2-methylpropyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-cyano-1-(2-methylpropyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-cyano-1-(2-methylpropyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide is CC(C)Cn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21.
What is the InChIKey of N-[3-cyano-1-(2-methylpropyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is FPFNDWVXUASQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-11(2)8-23-9-12(7-19)14-5-13(3-4-16(14)23)22-18(25)15-6-17(24)21-10-20-15/h3-6,9-11H,8H2,1-2H3,(H,22,25)(H,20,21,24).
What are the key properties of N-[3-cyano-1-(2-methylpropyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
N-[3-cyano-1-(2-methylpropyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.50, 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-(2-methylpropyl)indol-5-yl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 156780179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).