(2S)-5,6-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C19H22N2O2 — CID 96563122

IUPAC(2S)-5,6-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1ccc(CCNC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)cn1
InChIInChI=1S/C19H22N2O2/c1-12-8-16-10-18(23-17(16)9-13(12)2)19(22)20-7-6-15-5-4-14(3)21-11-15/h4-5,8-9,11,18H,6-7,10H2,1-3H3,(H,20,22)/t18-/m0/s1
InChIKeyAZLRJTPZGLGMGB-SFHVURJKSA-N
MW310.40 g/mol
LogP2.67
Rot. Bonds4

About (2S)-5,6-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-5,6-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 96563122) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2S)-5,6-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-5,6-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID96563122
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2S)-5,6-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1ccc(CCNC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)cn1
InChIInChI=1S/C19H22N2O2/c1-12-8-16-10-18(23-17(16)9-13(12)2)19(22)20-7-6-15-5-4-14(3)21-11-15/h4-5,8-9,11,18H,6-7,10H2,1-3H3,(H,20,22)/t18-/m0/s1
InChIKeyAZLRJTPZGLGMGB-SFHVURJKSA-N
XLogP2.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-5-chloro-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9403274
N-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47153707
(2R)-3-[[(2R)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylpropanoic acid
CID 124691328
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083429
5,6-dimethyl-N-(3-piperazin-1-ylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119394601
1-N,4-N-bis[2-(6-methyl-3-pyridinyl)ethyl]bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 166234539
(2R)-N-[2-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9081021
2-[[(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 119253076
1-(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-one
CID 165456687
N-(1-aminohexan-2-yl)-5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119668837
(2S)-N-[2-(4-chlorophenyl)ethyl]-7,8-dimethyl-5-oxo-3,4-dihydro-2H-1,4-benzoxazepine-2-carboxamide
CID 92554878
1-[(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 102553850

Frequently Asked Questions

What is the IUPAC name of (2S)-5,6-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-5,6-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 96563122) is (2S)-5,6-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-5,6-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-5,6-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is Cc1ccc(CCNC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)cn1.
What is the InChIKey of (2S)-5,6-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is AZLRJTPZGLGMGB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-12-8-16-10-18(23-17(16)9-13(12)2)19(22)20-7-6-15-5-4-14(3)21-11-15/h4-5,8-9,11,18H,6-7,10H2,1-3H3,(H,20,22)/t18-/m0/s1.
What are the key properties of (2S)-5,6-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-5,6-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5,6-dimethyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 96563122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).