N-(1,2-dimethylindol-5-yl)-4-(pyridin-2-ylmethyl)oxane-4-carboxamide

C22H25N3O2 — CID 110084501

IUPACN-(1,2-dimethylindol-5-yl)-4-(pyridin-2-ylmethyl)oxane-4-carboxamide
SMILESCc1cc2cc(NC(=O)C3(Cc4ccccn4)CCOCC3)ccc2n1C
InChIInChI=1S/C22H25N3O2/c1-16-13-17-14-18(6-7-20(17)25(16)2)24-21(26)22(8-11-27-12-9-22)15-19-5-3-4-10-23-19/h3-7,10,13-14H,8-9,11-12,15H2,1-2H3,(H,24,26)
InChIKeyZYNLDCXNIRTRSB-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.86
Rot. Bonds4

About N-(1,2-dimethylindol-5-yl)-4-(pyridin-2-ylmethyl)oxane-4-carboxamide

N-(1,2-dimethylindol-5-yl)-4-(pyridin-2-ylmethyl)oxane-4-carboxamide (PubChem CID 110084501) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(1,2-dimethylindol-5-yl)-4-(pyridin-2-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(1,2-dimethylindol-5-yl)-4-(pyridin-2-ylmethyl)oxane-4-carboxamide
PubChem CID110084501
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(1,2-dimethylindol-5-yl)-4-(pyridin-2-ylmethyl)oxane-4-carboxamide
SMILESCc1cc2cc(NC(=O)C3(Cc4ccccn4)CCOCC3)ccc2n1C
InChIInChI=1S/C22H25N3O2/c1-16-13-17-14-18(6-7-20(17)25(16)2)24-21(26)22(8-11-27-12-9-22)15-19-5-3-4-10-23-19/h3-7,10,13-14H,8-9,11-12,15H2,1-2H3,(H,24,26)
InChIKeyZYNLDCXNIRTRSB-UHFFFAOYSA-N
XLogP3.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methyl-1H-indol-1-yl)-N-(4-morpholinophenyl)propanamide
CID 2810627
ethyl 1-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]-3-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 10459315
N-(9-Isopropyl-9H-carbazol-3-yl)-3-pyridin-4-yl-propionamide
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ethyl (3S)-1-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]-3-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 44294881
N-(9-Methyl-9H-carbazol-3-yl)-3-pyridin-4-yl-propionamide
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N-(9-Ethyl-9H-carbazol-3-yl)-3-pyridin-4-yl-propionamide
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N-(9-Ethyl-9H-carbazol-3-yl)-2-pyridin-4-yl-acetamide
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N-(9-Acetyl-9H-carbazol-3-yl)-3-pyridin-4-yl-propionamide
CID 11824465
ethyl (3R)-1-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]-3-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 44294665
ethyl 3-(2-fluorobenzyl)-1-[3-(1H-indol-3-yl)propanoyl]-3-piperidinecarboxylate
CID 45171559
N-(1-ethyl-1H-indol-5-yl)-2-(oxolan-2-yl)acetamide
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US10544117, Entry 160146
CID 86274573

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylindol-5-yl)-4-(pyridin-2-ylmethyl)oxane-4-carboxamide?
The IUPAC name of N-(1,2-dimethylindol-5-yl)-4-(pyridin-2-ylmethyl)oxane-4-carboxamide (CID 110084501) is N-(1,2-dimethylindol-5-yl)-4-(pyridin-2-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for N-(1,2-dimethylindol-5-yl)-4-(pyridin-2-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for N-(1,2-dimethylindol-5-yl)-4-(pyridin-2-ylmethyl)oxane-4-carboxamide is Cc1cc2cc(NC(=O)C3(Cc4ccccn4)CCOCC3)ccc2n1C.
What is the InChIKey of N-(1,2-dimethylindol-5-yl)-4-(pyridin-2-ylmethyl)oxane-4-carboxamide?
The InChIKey is ZYNLDCXNIRTRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-13-17-14-18(6-7-20(17)25(16)2)24-21(26)22(8-11-27-12-9-22)15-19-5-3-4-10-23-19/h3-7,10,13-14H,8-9,11-12,15H2,1-2H3,(H,24,26).
What are the key properties of N-(1,2-dimethylindol-5-yl)-4-(pyridin-2-ylmethyl)oxane-4-carboxamide?
N-(1,2-dimethylindol-5-yl)-4-(pyridin-2-ylmethyl)oxane-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylindol-5-yl)-4-(pyridin-2-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 110084501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).