2-formamido-6-[4-(hydroxymethyl)-2-pyridinyl]-1H-indole-3-carboxamide;methanamine

C17H19N5O3 — CID 143724299

IUPAC2-formamido-6-[4-(hydroxymethyl)-2-pyridinyl]-1H-indole-3-carboxamide;methanamine
SMILESCN.NC(=O)c1c(NC=O)[nH]c2cc(-c3cc(CO)ccn3)ccc12
InChIInChI=1S/C16H14N4O3.CH5N/c17-15(23)14-11-2-1-10(6-13(11)20-16(14)19-8-22)12-5-9(7-21)3-4-18-12;1-2/h1-6,8,20-21H,7H2,(H2,17,23)(H,19,22);2H2,1H3
InChIKeyBLSPDJBAIWVQAA-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.96
Rot. Bonds5

About 2-formamido-6-[4-(hydroxymethyl)-2-pyridinyl]-1H-indole-3-carboxamide;methanamine

2-formamido-6-[4-(hydroxymethyl)-2-pyridinyl]-1H-indole-3-carboxamide;methanamine (PubChem CID 143724299) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-formamido-6-[4-(hydroxymethyl)-2-pyridinyl]-1H-indole-3-carboxamide;methanamine.

Molecular Properties

Compound Name2-formamido-6-[4-(hydroxymethyl)-2-pyridinyl]-1H-indole-3-carboxamide;methanamine
PubChem CID143724299
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-formamido-6-[4-(hydroxymethyl)-2-pyridinyl]-1H-indole-3-carboxamide;methanamine
SMILESCN.NC(=O)c1c(NC=O)[nH]c2cc(-c3cc(CO)ccn3)ccc12
InChIInChI=1S/C16H14N4O3.CH5N/c17-15(23)14-11-2-1-10(6-13(11)20-16(14)19-8-22)12-5-9(7-21)3-4-18-12;1-2/h1-6,8,20-21H,7H2,(H2,17,23)(H,19,22);2H2,1H3
InChIKeyBLSPDJBAIWVQAA-UHFFFAOYSA-N
XLogP0.96
TPSA147.12 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-formamido-6-[4-(hydroxymethyl)-2-pyridinyl]-1H-indole-3-carboxamide;methanamine?
The IUPAC name of 2-formamido-6-[4-(hydroxymethyl)-2-pyridinyl]-1H-indole-3-carboxamide;methanamine (CID 143724299) is 2-formamido-6-[4-(hydroxymethyl)-2-pyridinyl]-1H-indole-3-carboxamide;methanamine.
What is the SMILES notation for 2-formamido-6-[4-(hydroxymethyl)-2-pyridinyl]-1H-indole-3-carboxamide;methanamine?
The canonical SMILES for 2-formamido-6-[4-(hydroxymethyl)-2-pyridinyl]-1H-indole-3-carboxamide;methanamine is CN.NC(=O)c1c(NC=O)[nH]c2cc(-c3cc(CO)ccn3)ccc12.
What is the InChIKey of 2-formamido-6-[4-(hydroxymethyl)-2-pyridinyl]-1H-indole-3-carboxamide;methanamine?
The InChIKey is BLSPDJBAIWVQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3.CH5N/c17-15(23)14-11-2-1-10(6-13(11)20-16(14)19-8-22)12-5-9(7-21)3-4-18-12;1-2/h1-6,8,20-21H,7H2,(H2,17,23)(H,19,22);2H2,1H3.
What are the key properties of 2-formamido-6-[4-(hydroxymethyl)-2-pyridinyl]-1H-indole-3-carboxamide;methanamine?
2-formamido-6-[4-(hydroxymethyl)-2-pyridinyl]-1H-indole-3-carboxamide;methanamine has a molecular weight of 341.37 g/mol, XLogP of 0.96, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-6-[4-(hydroxymethyl)-2-pyridinyl]-1H-indole-3-carboxamide;methanamine is sourced from PubChem (CID 143724299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).