2-(carbamoylamino)-5-(3-methylideneindol-2-yl)-1H-pyrrole-3-carboxamide

C15H13N5O2 — CID 143948621

IUPAC2-(carbamoylamino)-5-(3-methylideneindol-2-yl)-1H-pyrrole-3-carboxamide
SMILESC=C1C(c2cc(C(N)=O)c(NC(N)=O)[nH]2)=Nc2ccccc21
InChIInChI=1S/C15H13N5O2/c1-7-8-4-2-3-5-10(8)18-12(7)11-6-9(13(16)21)14(19-11)20-15(17)22/h2-6,19H,1H2,(H2,16,21)(H3,17,20,22)
InChIKeyGNJDYDXRWOZJLF-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.75
Rot. Bonds3

About 2-(carbamoylamino)-5-(3-methylideneindol-2-yl)-1H-pyrrole-3-carboxamide

2-(carbamoylamino)-5-(3-methylideneindol-2-yl)-1H-pyrrole-3-carboxamide (PubChem CID 143948621) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(3-methylideneindol-2-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-(3-methylideneindol-2-yl)-1H-pyrrole-3-carboxamide
PubChem CID143948621
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name2-(carbamoylamino)-5-(3-methylideneindol-2-yl)-1H-pyrrole-3-carboxamide
SMILESC=C1C(c2cc(C(N)=O)c(NC(N)=O)[nH]2)=Nc2ccccc21
InChIInChI=1S/C15H13N5O2/c1-7-8-4-2-3-5-10(8)18-12(7)11-6-9(13(16)21)14(19-11)20-15(17)22/h2-6,19H,1H2,(H2,16,21)(H3,17,20,22)
InChIKeyGNJDYDXRWOZJLF-UHFFFAOYSA-N
XLogP1.75
TPSA126.36 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-(3-methylideneindol-2-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-(3-methylideneindol-2-yl)-1H-pyrrole-3-carboxamide (CID 143948621) is 2-(carbamoylamino)-5-(3-methylideneindol-2-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-(3-methylideneindol-2-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-(3-methylideneindol-2-yl)-1H-pyrrole-3-carboxamide is C=C1C(c2cc(C(N)=O)c(NC(N)=O)[nH]2)=Nc2ccccc21.
What is the InChIKey of 2-(carbamoylamino)-5-(3-methylideneindol-2-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is GNJDYDXRWOZJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-7-8-4-2-3-5-10(8)18-12(7)11-6-9(13(16)21)14(19-11)20-15(17)22/h2-6,19H,1H2,(H2,16,21)(H3,17,20,22).
What are the key properties of 2-(carbamoylamino)-5-(3-methylideneindol-2-yl)-1H-pyrrole-3-carboxamide?
2-(carbamoylamino)-5-(3-methylideneindol-2-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-(3-methylideneindol-2-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 143948621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).