N-ethyl-6-hydroxy-2,5,7,8-tetramethyl-N-(pyridin-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide

C22H28N2O3 — CID 91777750

IUPACN-ethyl-6-hydroxy-2,5,7,8-tetramethyl-N-(pyridin-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide
SMILESCCN(Cc1ccccn1)C(=O)C1(C)CCc2c(C)c(O)c(C)c(C)c2O1
InChIInChI=1S/C22H28N2O3/c1-6-24(13-17-9-7-8-12-23-17)21(26)22(5)11-10-18-16(4)19(25)14(2)15(3)20(18)27-22/h7-9,12,25H,6,10-11,13H2,1-5H3
InChIKeyXLKQBQONODQJTP-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.84
Rot. Bonds4

About N-ethyl-6-hydroxy-2,5,7,8-tetramethyl-N-(pyridin-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide

N-ethyl-6-hydroxy-2,5,7,8-tetramethyl-N-(pyridin-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide (PubChem CID 91777750) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-ethyl-6-hydroxy-2,5,7,8-tetramethyl-N-(pyridin-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-hydroxy-2,5,7,8-tetramethyl-N-(pyridin-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide
PubChem CID91777750
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-ethyl-6-hydroxy-2,5,7,8-tetramethyl-N-(pyridin-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide
SMILESCCN(Cc1ccccn1)C(=O)C1(C)CCc2c(C)c(O)c(C)c(C)c2O1
InChIInChI=1S/C22H28N2O3/c1-6-24(13-17-9-7-8-12-23-17)21(26)22(5)11-10-18-16(4)19(25)14(2)15(3)20(18)27-22/h7-9,12,25H,6,10-11,13H2,1-5H3
InChIKeyXLKQBQONODQJTP-UHFFFAOYSA-N
XLogP3.84
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydroxy-2,5,7,8-tetramethyl-N-(2-phenylethyl)-N-(2-pyridin-2-ylethyl)-3,4-dihydrochromene-2-carboxamide
CID 67906530
2,5,7,8-tetramethyl-2-[(pyridin-2-ylmethylamino)methyl]-3,4-dihydrochromen-6-ol
CID 54470679
(2R)-6-hydroxy-N,2,5,7,8-pentamethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydrochromene-2-carboxamide
CID 99989815
ethyl 2-[[5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)methyl]furan-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetate
CID 21046512
N-ethyl-1-[(Z)-N'-hydroxycarbamimidoyl]-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 80594081
(2R)-6-hydroxy-N',N',2,5,7,8-hexamethyl-3,4-dihydrochromene-2-carbohydrazide
CID 11779110
N-(2-aminoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide;hydrochloride
CID 72948200
(2R)-6-hydroxy-2,5,7,8-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydrochromene-2-carboxamide
CID 124750425
N-ethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 106975512
6-hydroxy-N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 4075296
3-amino-N-ethyl-N-(pyridin-2-ylmethyl)propanamide
CID 39241658
N-ethyl-3-methyl-N-(pyridin-2-ylmethyl)-2-sulfanylbutanamide
CID 107032618

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-hydroxy-2,5,7,8-tetramethyl-N-(pyridin-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide?
The IUPAC name of N-ethyl-6-hydroxy-2,5,7,8-tetramethyl-N-(pyridin-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide (CID 91777750) is N-ethyl-6-hydroxy-2,5,7,8-tetramethyl-N-(pyridin-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide.
What is the SMILES notation for N-ethyl-6-hydroxy-2,5,7,8-tetramethyl-N-(pyridin-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide?
The canonical SMILES for N-ethyl-6-hydroxy-2,5,7,8-tetramethyl-N-(pyridin-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide is CCN(Cc1ccccn1)C(=O)C1(C)CCc2c(C)c(O)c(C)c(C)c2O1.
What is the InChIKey of N-ethyl-6-hydroxy-2,5,7,8-tetramethyl-N-(pyridin-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide?
The InChIKey is XLKQBQONODQJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-6-24(13-17-9-7-8-12-23-17)21(26)22(5)11-10-18-16(4)19(25)14(2)15(3)20(18)27-22/h7-9,12,25H,6,10-11,13H2,1-5H3.
What are the key properties of N-ethyl-6-hydroxy-2,5,7,8-tetramethyl-N-(pyridin-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide?
N-ethyl-6-hydroxy-2,5,7,8-tetramethyl-N-(pyridin-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-hydroxy-2,5,7,8-tetramethyl-N-(pyridin-2-ylmethyl)-3,4-dihydrochromene-2-carboxamide is sourced from PubChem (CID 91777750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).