N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-1H-indole-2-carboxamide

C19H17N3O2 — CID 90579189

IUPACN-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-1H-indole-2-carboxamide
SMILESCc1ccc(OCC#CCNC(=O)c2cc3ccccc3[nH]2)cn1
InChIInChI=1S/C19H17N3O2/c1-14-8-9-16(13-21-14)24-11-5-4-10-20-19(23)18-12-15-6-2-3-7-17(15)22-18/h2-3,6-9,12-13,22H,10-11H2,1H3,(H,20,23)
InChIKeyHUFNYHVWCMLWFA-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.68
Rot. Bonds4

About N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-1H-indole-2-carboxamide

N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-1H-indole-2-carboxamide (PubChem CID 90579189) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-1H-indole-2-carboxamide
PubChem CID90579189
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-1H-indole-2-carboxamide
SMILESCc1ccc(OCC#CCNC(=O)c2cc3ccccc3[nH]2)cn1
InChIInChI=1S/C19H17N3O2/c1-14-8-9-16(13-21-14)24-11-5-4-10-20-19(23)18-12-15-6-2-3-7-17(15)22-18/h2-3,6-9,12-13,22H,10-11H2,1H3,(H,20,23)
InChIKeyHUFNYHVWCMLWFA-UHFFFAOYSA-N
XLogP2.68
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-fluorophenoxy)but-2-ynyl]-1H-indole-2-carboxamide
CID 90574335
2-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide
CID 90579264
3-chloro-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide
CID 90579289
6-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)-1H-indole-2-carboxamide
CID 90578229
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]thiophene-2-carboxamide
CID 90579362
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-6-methoxy-1H-indole-2-carboxamide
CID 90580572
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide
CID 90551749
1-(3-chlorophenyl)-3-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]urea
CID 90579458
2-(1,2-benzoxazol-3-yl)-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]acetamide
CID 90579211
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-2-carboxamide
CID 37157221
N-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 34866358

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-1H-indole-2-carboxamide (CID 90579189) is N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-1H-indole-2-carboxamide is Cc1ccc(OCC#CCNC(=O)c2cc3ccccc3[nH]2)cn1.
What is the InChIKey of N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-1H-indole-2-carboxamide?
The InChIKey is HUFNYHVWCMLWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-14-8-9-16(13-21-14)24-11-5-4-10-20-19(23)18-12-15-6-2-3-7-17(15)22-18/h2-3,6-9,12-13,22H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-1H-indole-2-carboxamide?
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-1H-indole-2-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 90579189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).