2-formamido-6-(4-hydroxypent-1-ynyl)-1H-indole-3-carboxamide;methanamine

C16H20N4O3 — CID 143724216

IUPAC2-formamido-6-(4-hydroxypent-1-ynyl)-1H-indole-3-carboxamide;methanamine
SMILESCC(O)CC#Cc1ccc2c(C(N)=O)c(NC=O)[nH]c2c1.CN
InChIInChI=1S/C15H15N3O3.CH5N/c1-9(20)3-2-4-10-5-6-11-12(7-10)18-15(17-8-19)13(11)14(16)21;1-2/h5-9,18,20H,3H2,1H3,(H2,16,21)(H,17,19);2H2,1H3
InChIKeyLDMBWNDPJYQMSQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.53
Rot. Bonds4

About 2-formamido-6-(4-hydroxypent-1-ynyl)-1H-indole-3-carboxamide;methanamine

2-formamido-6-(4-hydroxypent-1-ynyl)-1H-indole-3-carboxamide;methanamine (PubChem CID 143724216) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-formamido-6-(4-hydroxypent-1-ynyl)-1H-indole-3-carboxamide;methanamine.

Molecular Properties

Compound Name2-formamido-6-(4-hydroxypent-1-ynyl)-1H-indole-3-carboxamide;methanamine
PubChem CID143724216
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-formamido-6-(4-hydroxypent-1-ynyl)-1H-indole-3-carboxamide;methanamine
SMILESCC(O)CC#Cc1ccc2c(C(N)=O)c(NC=O)[nH]c2c1.CN
InChIInChI=1S/C15H15N3O3.CH5N/c1-9(20)3-2-4-10-5-6-11-12(7-10)18-15(17-8-19)13(11)14(16)21;1-2/h5-9,18,20H,3H2,1H3,(H2,16,21)(H,17,19);2H2,1H3
InChIKeyLDMBWNDPJYQMSQ-UHFFFAOYSA-N
XLogP0.53
TPSA134.23 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-formamido-6-(4-hydroxypent-1-ynyl)-1H-indole-3-carboxamide;methanamine?
The IUPAC name of 2-formamido-6-(4-hydroxypent-1-ynyl)-1H-indole-3-carboxamide;methanamine (CID 143724216) is 2-formamido-6-(4-hydroxypent-1-ynyl)-1H-indole-3-carboxamide;methanamine.
What is the SMILES notation for 2-formamido-6-(4-hydroxypent-1-ynyl)-1H-indole-3-carboxamide;methanamine?
The canonical SMILES for 2-formamido-6-(4-hydroxypent-1-ynyl)-1H-indole-3-carboxamide;methanamine is CC(O)CC#Cc1ccc2c(C(N)=O)c(NC=O)[nH]c2c1.CN.
What is the InChIKey of 2-formamido-6-(4-hydroxypent-1-ynyl)-1H-indole-3-carboxamide;methanamine?
The InChIKey is LDMBWNDPJYQMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3.CH5N/c1-9(20)3-2-4-10-5-6-11-12(7-10)18-15(17-8-19)13(11)14(16)21;1-2/h5-9,18,20H,3H2,1H3,(H2,16,21)(H,17,19);2H2,1H3.
What are the key properties of 2-formamido-6-(4-hydroxypent-1-ynyl)-1H-indole-3-carboxamide;methanamine?
2-formamido-6-(4-hydroxypent-1-ynyl)-1H-indole-3-carboxamide;methanamine has a molecular weight of 316.36 g/mol, XLogP of 0.53, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-6-(4-hydroxypent-1-ynyl)-1H-indole-3-carboxamide;methanamine is sourced from PubChem (CID 143724216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).