4-[[7-[(3-butylphenyl)carbamoyl]-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide

C28H31N3O4 — CID 71188055

IUPAC4-[[7-[(3-butylphenyl)carbamoyl]-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCCCCc1cccc(NC(=O)C2Cc3cc(Oc4ccnc(C(=O)NC)c4)ccc3CC2O)c1
InChIInChI=1S/C28H31N3O4/c1-3-4-6-18-7-5-8-21(13-18)31-27(33)24-15-20-14-22(10-9-19(20)16-26(24)32)35-23-11-12-30-25(17-23)28(34)29-2/h5,7-14,17,24,26,32H,3-4,6,15-16H2,1-2H3,(H,29,34)(H,31,33)
InChIKeyIEXPGCNFIHXRGI-UHFFFAOYSA-N
MW473.57 g/mol
LogP4.29
Rot. Bonds8

About 4-[[7-[(3-butylphenyl)carbamoyl]-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide

4-[[7-[(3-butylphenyl)carbamoyl]-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide (PubChem CID 71188055) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is 4-[[7-[(3-butylphenyl)carbamoyl]-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[7-[(3-butylphenyl)carbamoyl]-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
PubChem CID71188055
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC Name4-[[7-[(3-butylphenyl)carbamoyl]-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
SMILESCCCCc1cccc(NC(=O)C2Cc3cc(Oc4ccnc(C(=O)NC)c4)ccc3CC2O)c1
InChIInChI=1S/C28H31N3O4/c1-3-4-6-18-7-5-8-21(13-18)31-27(33)24-15-20-14-22(10-9-19(20)16-26(24)32)35-23-11-12-30-25(17-23)28(34)29-2/h5,7-14,17,24,26,32H,3-4,6,15-16H2,1-2H3,(H,29,34)(H,31,33)
InChIKeyIEXPGCNFIHXRGI-UHFFFAOYSA-N
XLogP4.29
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[7-[(3-butylphenyl)carbamoyl]-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

4-[3-[(E)-3-(3-butylanilino)-2-methyl-3-oxoprop-1-enyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 143262898
N-(4-butylphenyl)-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 69434633
4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 59685040
4-[4-[(3-chlorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002051
4-[4-[3-(1,3-dihydro-2-benzofuran-5-ylamino)-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58674639
N-methyl-4-[[7-[[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide
CID 66721472
4-[[7-[[3-[(ethylcarbamoylamino)methyl]-5-(trifluoromethyl)phenyl]carbamoyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide
CID 58902434
4-[4-[[[3-(dimethylamino)phenyl]carbamoylamino]methyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 90044455
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
4-[4-[(3-cyanophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002070
4-[3-[2-[[4-(ethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 71122267
N'-(3,4-dichlorophenyl)-N-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]propanediamide
CID 58968827

Frequently Asked Questions

What is the IUPAC name of 4-[[7-[(3-butylphenyl)carbamoyl]-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[7-[(3-butylphenyl)carbamoyl]-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide (CID 71188055) is 4-[[7-[(3-butylphenyl)carbamoyl]-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[7-[(3-butylphenyl)carbamoyl]-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[7-[(3-butylphenyl)carbamoyl]-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide is CCCCc1cccc(NC(=O)C2Cc3cc(Oc4ccnc(C(=O)NC)c4)ccc3CC2O)c1.
What is the InChIKey of 4-[[7-[(3-butylphenyl)carbamoyl]-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide?
The InChIKey is IEXPGCNFIHXRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-3-4-6-18-7-5-8-21(13-18)31-27(33)24-15-20-14-22(10-9-19(20)16-26(24)32)35-23-11-12-30-25(17-23)28(34)29-2/h5,7-14,17,24,26,32H,3-4,6,15-16H2,1-2H3,(H,29,34)(H,31,33).
What are the key properties of 4-[[7-[(3-butylphenyl)carbamoyl]-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide?
4-[[7-[(3-butylphenyl)carbamoyl]-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide has a molecular weight of 473.57 g/mol, XLogP of 4.29, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[(3-butylphenyl)carbamoyl]-6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 71188055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).