5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide

C13H11N5O — CID 63117023

IUPAC5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide
SMILESNc1ccc2[nH]cc(C(=O)Nc3ncccn3)c2c1
InChIInChI=1S/C13H11N5O/c14-8-2-3-11-9(6-8)10(7-17-11)12(19)18-13-15-4-1-5-16-13/h1-7,17H,14H2,(H,15,16,18,19)
InChIKeyYNOPNBOTMXOZIL-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.79
Rot. Bonds2

About 5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide

5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide (PubChem CID 63117023) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide
PubChem CID63117023
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide
SMILESNc1ccc2[nH]cc(C(=O)Nc3ncccn3)c2c1
InChIInChI=1S/C13H11N5O/c14-8-2-3-11-9(6-8)10(7-17-11)12(19)18-13-15-4-1-5-16-13/h1-7,17H,14H2,(H,15,16,18,19)
InChIKeyYNOPNBOTMXOZIL-UHFFFAOYSA-N
XLogP1.79
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-phenyl-1H-indole-3-carboxamide
CID 63116510
5-amino-N-(2,6-dibromophenyl)-1H-indole-3-carboxamide
CID 107596138
5-amino-N-(3-hydroxyphenyl)-1H-indole-3-carboxamide
CID 63116812
5-amino-N-(2-chlorophenyl)-1H-indole-3-carboxamide
CID 63116419
5-amino-N-(2-methylsulfanylphenyl)-1H-indole-3-carboxamide
CID 63116828
5-amino-N-(2,5-dimethylpyrazol-3-yl)-1H-indole-3-carboxamide
CID 63116359
6-amino-N-(2-methyl-3-pyridinyl)-1H-indole-3-carboxamide
CID 79041592
5-amino-N-(3-hydroxy-4-methylphenyl)-1H-indole-3-carboxamide
CID 107699365
5-amino-1H-indole-3-carboxylate
CID 36690512
6-amino-N-(1H-imidazol-2-yl)-1H-indole-3-carboxamide
CID 63562915
5-amino-N-(2-bromo-4-methylphenyl)-1H-indole-3-carboxamide
CID 63116424
5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide
CID 63117335

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide (CID 63117023) is 5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide is Nc1ccc2[nH]cc(C(=O)Nc3ncccn3)c2c1.
What is the InChIKey of 5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide?
The InChIKey is YNOPNBOTMXOZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-8-2-3-11-9(6-8)10(7-17-11)12(19)18-13-15-4-1-5-16-13/h1-7,17H,14H2,(H,15,16,18,19).
What are the key properties of 5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide?
5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide is sourced from PubChem (CID 63117023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).