N-(3-cyano-1-propan-2-ylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide

C17H15N5O2 — CID 156780190

IUPACN-(3-cyano-1-propan-2-ylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)n1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21
InChIInChI=1S/C17H15N5O2/c1-10(2)22-8-11(7-18)13-5-12(3-4-15(13)22)21-17(24)14-6-16(23)20-9-19-14/h3-6,8-10H,1-2H3,(H,21,24)(H,19,20,23)
InChIKeyMGEBFGUELPJZFO-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.43
Rot. Bonds3

About N-(3-cyano-1-propan-2-ylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide

N-(3-cyano-1-propan-2-ylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 156780190) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(3-cyano-1-propan-2-ylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-1-propan-2-ylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID156780190
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC NameN-(3-cyano-1-propan-2-ylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)n1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21
InChIInChI=1S/C17H15N5O2/c1-10(2)22-8-11(7-18)13-5-12(3-4-15(13)22)21-17(24)14-6-16(23)20-9-19-14/h3-6,8-10H,1-2H3,(H,21,24)(H,19,20,23)
InChIKeyMGEBFGUELPJZFO-UHFFFAOYSA-N
XLogP2.43
TPSA103.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-(4-(4-(2-oxopyridin-1(2H)-yl)phenyl)piperazin-1-yl)propyl)-1H-indole-5-carbonitrile
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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
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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
CID 894234
2-Cyano-N-cyclopentyl-3-{1-[(2-methoxy-ethylcarbamoyl)-methyl]-1H-indol-3-yl}-acrylamide
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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
CID 118190871
3-(2-(4-(4-(2-oxopyridin-1(2H)-yl)phenyl)piperazin-1-yl)ethyl)-1H-indole-5-carbonitrile
CID 118190876
3-(2-(4-(4-(4-methyl-2-oxopyridin-1(2H)-yl)phenyl)piperazin-1-yl)ethyl)-1H-indole-5-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1-propan-2-ylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(3-cyano-1-propan-2-ylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 156780190) is N-(3-cyano-1-propan-2-ylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-cyano-1-propan-2-ylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-cyano-1-propan-2-ylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide is CC(C)n1cc(C#N)c2cc(NC(=O)c3cc(=O)[nH]cn3)ccc21.
What is the InChIKey of N-(3-cyano-1-propan-2-ylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is MGEBFGUELPJZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-10(2)22-8-11(7-18)13-5-12(3-4-15(13)22)21-17(24)14-6-16(23)20-9-19-14/h3-6,8-10H,1-2H3,(H,21,24)(H,19,20,23).
What are the key properties of N-(3-cyano-1-propan-2-ylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide?
N-(3-cyano-1-propan-2-ylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.43, 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-propan-2-ylindol-5-yl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 156780190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).