2-(carbamoylamino)-6-(2,4-dimethoxypyrimidin-5-yl)-1H-indole-3-carboxamide

C16H16N6O4 — CID 59189762

IUPAC2-(carbamoylamino)-6-(2,4-dimethoxypyrimidin-5-yl)-1H-indole-3-carboxamide
SMILESCOc1ncc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)c(OC)n1
InChIInChI=1S/C16H16N6O4/c1-25-14-9(6-19-16(22-14)26-2)7-3-4-8-10(5-7)20-13(21-15(18)24)11(8)12(17)23/h3-6,20H,1-2H3,(H2,17,23)(H3,18,21,24)
InChIKeyFTNLGQHGOZLLRW-UHFFFAOYSA-N
MW356.34 g/mol
LogP1.23
Rot. Bonds5

About 2-(carbamoylamino)-6-(2,4-dimethoxypyrimidin-5-yl)-1H-indole-3-carboxamide

2-(carbamoylamino)-6-(2,4-dimethoxypyrimidin-5-yl)-1H-indole-3-carboxamide (PubChem CID 59189762) has the molecular formula C16H16N6O4 and a molecular weight of 356.34 g/mol. Its IUPAC name is 2-(carbamoylamino)-6-(2,4-dimethoxypyrimidin-5-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-6-(2,4-dimethoxypyrimidin-5-yl)-1H-indole-3-carboxamide
PubChem CID59189762
Molecular FormulaC16H16N6O4
Molecular Weight356.34 g/mol
Exact Mass356.12
IUPAC Name2-(carbamoylamino)-6-(2,4-dimethoxypyrimidin-5-yl)-1H-indole-3-carboxamide
SMILESCOc1ncc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)c(OC)n1
InChIInChI=1S/C16H16N6O4/c1-25-14-9(6-19-16(22-14)26-2)7-3-4-8-10(5-7)20-13(21-15(18)24)11(8)12(17)23/h3-6,20H,1-2H3,(H2,17,23)(H3,18,21,24)
InChIKeyFTNLGQHGOZLLRW-UHFFFAOYSA-N
XLogP1.23
TPSA158.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-6-(2,4-dimethoxypyrimidin-5-yl)-1H-indole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-6-(2,4-dimethoxypyrimidin-5-yl)-1H-indole-3-carboxamide (CID 59189762) is 2-(carbamoylamino)-6-(2,4-dimethoxypyrimidin-5-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-6-(2,4-dimethoxypyrimidin-5-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-6-(2,4-dimethoxypyrimidin-5-yl)-1H-indole-3-carboxamide is COc1ncc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)c(OC)n1.
What is the InChIKey of 2-(carbamoylamino)-6-(2,4-dimethoxypyrimidin-5-yl)-1H-indole-3-carboxamide?
The InChIKey is FTNLGQHGOZLLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O4/c1-25-14-9(6-19-16(22-14)26-2)7-3-4-8-10(5-7)20-13(21-15(18)24)11(8)12(17)23/h3-6,20H,1-2H3,(H2,17,23)(H3,18,21,24).
What are the key properties of 2-(carbamoylamino)-6-(2,4-dimethoxypyrimidin-5-yl)-1H-indole-3-carboxamide?
2-(carbamoylamino)-6-(2,4-dimethoxypyrimidin-5-yl)-1H-indole-3-carboxamide has a molecular weight of 356.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-6-(2,4-dimethoxypyrimidin-5-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 59189762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).