6-[2-(dimethylamino)ethoxy]-N-[1-(hydroxymethyl)-6-methoxy-2,3-dihydroinden-1-yl]pyridine-3-carboxamide

C21H27N3O4 — CID 167918130

IUPAC6-[2-(dimethylamino)ethoxy]-N-[1-(hydroxymethyl)-6-methoxy-2,3-dihydroinden-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc2c(c1)C(CO)(NC(=O)c1ccc(OCCN(C)C)nc1)CC2
InChIInChI=1S/C21H27N3O4/c1-24(2)10-11-28-19-7-5-16(13-22-19)20(26)23-21(14-25)9-8-15-4-6-17(27-3)12-18(15)21/h4-7,12-13,25H,8-11,14H2,1-3H3,(H,23,26)
InChIKeyUKCVHHYRRQXYCK-UHFFFAOYSA-N
MW385.46 g/mol
LogP1.59
Rot. Bonds8

About 6-[2-(dimethylamino)ethoxy]-N-[1-(hydroxymethyl)-6-methoxy-2,3-dihydroinden-1-yl]pyridine-3-carboxamide

6-[2-(dimethylamino)ethoxy]-N-[1-(hydroxymethyl)-6-methoxy-2,3-dihydroinden-1-yl]pyridine-3-carboxamide (PubChem CID 167918130) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-N-[1-(hydroxymethyl)-6-methoxy-2,3-dihydroinden-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethoxy]-N-[1-(hydroxymethyl)-6-methoxy-2,3-dihydroinden-1-yl]pyridine-3-carboxamide
PubChem CID167918130
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name6-[2-(dimethylamino)ethoxy]-N-[1-(hydroxymethyl)-6-methoxy-2,3-dihydroinden-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc2c(c1)C(CO)(NC(=O)c1ccc(OCCN(C)C)nc1)CC2
InChIInChI=1S/C21H27N3O4/c1-24(2)10-11-28-19-7-5-16(13-22-19)20(26)23-21(14-25)9-8-15-4-6-17(27-3)12-18(15)21/h4-7,12-13,25H,8-11,14H2,1-3H3,(H,23,26)
InChIKeyUKCVHHYRRQXYCK-UHFFFAOYSA-N
XLogP1.59
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[2-(dimethylamino)ethoxy]-N-[1-(hydroxymethyl)-6-methoxy-2,3-dihydroinden-1-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

[6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol
CID 79375001
[4-[2-(dimethylamino)ethoxy]phenyl]-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]methanone
CID 13362185
N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-6-[2-(dimethylamino)ethoxy]pyridine-3-carboxamide
CID 167797561
2-[[2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl]amino]acetic acid
CID 39293694
N-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-8-methoxy-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 71139901
(4bS,8aR)-4b-[2-(dimethylamino)ethyl]-3-methoxy-5,6,7,8,9,10-hexahydrophenanthren-8a-ol
CID 57247370
6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylic acid
CID 79374970
2-[2-(dimethylamino)ethoxy]-4-methoxybenzoyl chloride
CID 39260609
[1-(2-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol
CID 79372158
3-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]propanoic acid
CID 20988529
[1-(3-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol
CID 79372156
6-methoxy-1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide
CID 79374237

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethoxy]-N-[1-(hydroxymethyl)-6-methoxy-2,3-dihydroinden-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(dimethylamino)ethoxy]-N-[1-(hydroxymethyl)-6-methoxy-2,3-dihydroinden-1-yl]pyridine-3-carboxamide (CID 167918130) is 6-[2-(dimethylamino)ethoxy]-N-[1-(hydroxymethyl)-6-methoxy-2,3-dihydroinden-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-N-[1-(hydroxymethyl)-6-methoxy-2,3-dihydroinden-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-N-[1-(hydroxymethyl)-6-methoxy-2,3-dihydroinden-1-yl]pyridine-3-carboxamide is COc1ccc2c(c1)C(CO)(NC(=O)c1ccc(OCCN(C)C)nc1)CC2.
What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-N-[1-(hydroxymethyl)-6-methoxy-2,3-dihydroinden-1-yl]pyridine-3-carboxamide?
The InChIKey is UKCVHHYRRQXYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-24(2)10-11-28-19-7-5-16(13-22-19)20(26)23-21(14-25)9-8-15-4-6-17(27-3)12-18(15)21/h4-7,12-13,25H,8-11,14H2,1-3H3,(H,23,26).
What are the key properties of 6-[2-(dimethylamino)ethoxy]-N-[1-(hydroxymethyl)-6-methoxy-2,3-dihydroinden-1-yl]pyridine-3-carboxamide?
6-[2-(dimethylamino)ethoxy]-N-[1-(hydroxymethyl)-6-methoxy-2,3-dihydroinden-1-yl]pyridine-3-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethoxy]-N-[1-(hydroxymethyl)-6-methoxy-2,3-dihydroinden-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 167918130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).