4-methyl-3-[[3-[2-(4-morpholin-4-ylbutyl)-2,3-dihydropyridin-4-yl]-2-pyridinyl]oxy]-N-(3-propan-2-ylphenyl)benzamide

C35H42N4O3 — CID 58396829

IUPAC4-methyl-3-[[3-[2-(4-morpholin-4-ylbutyl)-2,3-dihydropyridin-4-yl]-2-pyridinyl]oxy]-N-(3-propan-2-ylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(C)C)c2)cc1Oc1ncccc1C1=CC=NC(CCCCN2CCOCC2)C1
InChIInChI=1S/C35H42N4O3/c1-25(2)27-8-6-10-31(22-27)38-34(40)29-13-12-26(3)33(24-29)42-35-32(11-7-15-37-35)28-14-16-36-30(23-28)9-4-5-17-39-18-20-41-21-19-39/h6-8,10-16,22,24-25,30H,4-5,9,17-21,23H2,1-3H3,(H,38,40)
InChIKeyMFXORHIKFZLIGQ-UHFFFAOYSA-N
MW566.75 g/mol
LogP7.29
Rot. Bonds11

About 4-methyl-3-[[3-[2-(4-morpholin-4-ylbutyl)-2,3-dihydropyridin-4-yl]-2-pyridinyl]oxy]-N-(3-propan-2-ylphenyl)benzamide

4-methyl-3-[[3-[2-(4-morpholin-4-ylbutyl)-2,3-dihydropyridin-4-yl]-2-pyridinyl]oxy]-N-(3-propan-2-ylphenyl)benzamide (PubChem CID 58396829) has the molecular formula C35H42N4O3 and a molecular weight of 566.75 g/mol. Its IUPAC name is 4-methyl-3-[[3-[2-(4-morpholin-4-ylbutyl)-2,3-dihydropyridin-4-yl]-2-pyridinyl]oxy]-N-(3-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-methyl-3-[[3-[2-(4-morpholin-4-ylbutyl)-2,3-dihydropyridin-4-yl]-2-pyridinyl]oxy]-N-(3-propan-2-ylphenyl)benzamide
PubChem CID58396829
Molecular FormulaC35H42N4O3
Molecular Weight566.75 g/mol
Exact Mass566.33
IUPAC Name4-methyl-3-[[3-[2-(4-morpholin-4-ylbutyl)-2,3-dihydropyridin-4-yl]-2-pyridinyl]oxy]-N-(3-propan-2-ylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(C)C)c2)cc1Oc1ncccc1C1=CC=NC(CCCCN2CCOCC2)C1
InChIInChI=1S/C35H42N4O3/c1-25(2)27-8-6-10-31(22-27)38-34(40)29-13-12-26(3)33(24-29)42-35-32(11-7-15-37-35)28-14-16-36-30(23-28)9-4-5-17-39-18-20-41-21-19-39/h6-8,10-16,22,24-25,30H,4-5,9,17-21,23H2,1-3H3,(H,38,40)
InChIKeyMFXORHIKFZLIGQ-UHFFFAOYSA-N
XLogP7.29
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(3-propan-2-ylphenyl)-3-[[3-(4-propyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]benzamide
CID 58396738
N-(5-cyclohexyl-2-methoxyphenyl)-4-methyl-3-[[3-[4-(4-morpholin-4-ylbutyl)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide
CID 58397038
3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 58396529
4-methyl-N-[N'-(2-morpholin-4-ylethyl)-N-(3-propan-2-ylphenyl)carbamimidoyl]benzamide
CID 50819517
N-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-4-(2-morpholin-4-ylethylamino)-3-(trifluoromethyl)benzamide
CID 58396995
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053343
3-methoxy-4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 55748732
N-[3-acetamido-4-[(1R)-1-cyclopropylethoxy]phenyl]-4-methyl-3-[2-(3-morpholin-4-ylpropylamino)quinazolin-6-yl]benzamide
CID 58829713
4-methyl-3-[[methyl(2-morpholin-4-ylethyl)carbamoyl]amino]-N-phenylbenzamide
CID 71877034
4-(morpholin-4-ylmethyl)-N-[N-(3-propan-2-ylphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide
CID 50773262
3-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 58396240

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[3-[2-(4-morpholin-4-ylbutyl)-2,3-dihydropyridin-4-yl]-2-pyridinyl]oxy]-N-(3-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-methyl-3-[[3-[2-(4-morpholin-4-ylbutyl)-2,3-dihydropyridin-4-yl]-2-pyridinyl]oxy]-N-(3-propan-2-ylphenyl)benzamide (CID 58396829) is 4-methyl-3-[[3-[2-(4-morpholin-4-ylbutyl)-2,3-dihydropyridin-4-yl]-2-pyridinyl]oxy]-N-(3-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-methyl-3-[[3-[2-(4-morpholin-4-ylbutyl)-2,3-dihydropyridin-4-yl]-2-pyridinyl]oxy]-N-(3-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-methyl-3-[[3-[2-(4-morpholin-4-ylbutyl)-2,3-dihydropyridin-4-yl]-2-pyridinyl]oxy]-N-(3-propan-2-ylphenyl)benzamide is Cc1ccc(C(=O)Nc2cccc(C(C)C)c2)cc1Oc1ncccc1C1=CC=NC(CCCCN2CCOCC2)C1.
What is the InChIKey of 4-methyl-3-[[3-[2-(4-morpholin-4-ylbutyl)-2,3-dihydropyridin-4-yl]-2-pyridinyl]oxy]-N-(3-propan-2-ylphenyl)benzamide?
The InChIKey is MFXORHIKFZLIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N4O3/c1-25(2)27-8-6-10-31(22-27)38-34(40)29-13-12-26(3)33(24-29)42-35-32(11-7-15-37-35)28-14-16-36-30(23-28)9-4-5-17-39-18-20-41-21-19-39/h6-8,10-16,22,24-25,30H,4-5,9,17-21,23H2,1-3H3,(H,38,40).
What are the key properties of 4-methyl-3-[[3-[2-(4-morpholin-4-ylbutyl)-2,3-dihydropyridin-4-yl]-2-pyridinyl]oxy]-N-(3-propan-2-ylphenyl)benzamide?
4-methyl-3-[[3-[2-(4-morpholin-4-ylbutyl)-2,3-dihydropyridin-4-yl]-2-pyridinyl]oxy]-N-(3-propan-2-ylphenyl)benzamide has a molecular weight of 566.75 g/mol, XLogP of 7.29, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[3-[2-(4-morpholin-4-ylbutyl)-2,3-dihydropyridin-4-yl]-2-pyridinyl]oxy]-N-(3-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 58396829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).