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

C15H11N5O2 — CID 156780186

IUPACN-(3-cyano-1-methylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21
InChIInChI=1S/C15H11N5O2/c1-20-7-9(6-16)11-4-10(2-3-13(11)20)19-15(22)12-5-14(21)18-8-17-12/h2-5,7-8H,1H3,(H,19,22)(H,17,18,21)
InChIKeySAJWCJUMROQNKZ-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.39
Rot. Bonds2

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

N-(3-cyano-1-methylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 156780186) has the molecular formula C15H11N5O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is N-(3-cyano-1-methylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-1-methylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID156780186
Molecular FormulaC15H11N5O2
Molecular Weight293.29 g/mol
Exact Mass293.09
IUPAC NameN-(3-cyano-1-methylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21
InChIInChI=1S/C15H11N5O2/c1-20-7-9(6-16)11-4-10(2-3-13(11)20)19-15(22)12-5-14(21)18-8-17-12/h2-5,7-8H,1H3,(H,19,22)(H,17,18,21)
InChIKeySAJWCJUMROQNKZ-UHFFFAOYSA-N
XLogP1.39
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(2-(1H-indol-6-yl)ethyl)pyrimidin-4(3H)-one
CID 135424789
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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-1H-indol-1-yl)-N-(3-pyridinylmethyl)acetamide
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2-Cyano-N-cyclopentyl-3-{1-[(2-methoxy-ethylcarbamoyl)-methyl]-1H-indol-3-yl}-acrylamide
CID 5767022
N-(2-(1H-Indol-1-yl)ethyl)acetamide
CID 3237007
N-(1H-Indol-6-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 9931673
Dynole 34-2
CID 44157463
3-(5-(4-(4-(2-oxopyridin-1(2H)-yl)phenyl)piperazin-1-yl)pentyl)-1H-indole-5-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1-methylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(3-cyano-1-methylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 156780186) is N-(3-cyano-1-methylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-cyano-1-methylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-cyano-1-methylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide is Cn1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21.
What is the InChIKey of N-(3-cyano-1-methylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is SAJWCJUMROQNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O2/c1-20-7-9(6-16)11-4-10(2-3-13(11)20)19-15(22)12-5-14(21)18-8-17-12/h2-5,7-8H,1H3,(H,19,22)(H,17,18,21).
What are the key properties of N-(3-cyano-1-methylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
N-(3-cyano-1-methylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 293.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1-methylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 156780186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).