6-[5-[[(4-tert-butylcyclohexyl)amino]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide

C27H33N3O2 — CID 59401364

IUPAC6-[5-[[(4-tert-butylcyclohexyl)amino]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide
SMILESCC(C)(C)C1CCC(NCc2cccc3c(Oc4ccc(C(N)=O)cn4)cccc23)CC1
InChIInChI=1S/C27H33N3O2/c1-27(2,3)20-11-13-21(14-12-20)29-16-18-6-4-8-23-22(18)7-5-9-24(23)32-25-15-10-19(17-30-25)26(28)31/h4-10,15,17,20-21,29H,11-14,16H2,1-3H3,(H2,28,31)
InChIKeyCORRDUNNLLZGTA-UHFFFAOYSA-N
MW431.58 g/mol
LogP5.82
Rot. Bonds6

About 6-[5-[[(4-tert-butylcyclohexyl)amino]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide

6-[5-[[(4-tert-butylcyclohexyl)amino]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide (PubChem CID 59401364) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is 6-[5-[[(4-tert-butylcyclohexyl)amino]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-[[(4-tert-butylcyclohexyl)amino]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide
PubChem CID59401364
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name6-[5-[[(4-tert-butylcyclohexyl)amino]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide
SMILESCC(C)(C)C1CCC(NCc2cccc3c(Oc4ccc(C(N)=O)cn4)cccc23)CC1
InChIInChI=1S/C27H33N3O2/c1-27(2,3)20-11-13-21(14-12-20)29-16-18-6-4-8-23-22(18)7-5-9-24(23)32-25-15-10-19(17-30-25)26(28)31/h4-10,15,17,20-21,29H,11-14,16H2,1-3H3,(H2,28,31)
InChIKeyCORRDUNNLLZGTA-UHFFFAOYSA-N
XLogP5.82
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[5-[(cyclohexylmethylamino)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide
CID 25119727
6-[4-[(1-oxaspiro[4.4]nonan-3-ylamino)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide
CID 59401296
6-[4-[[2-(2-methylpiperidin-1-yl)ethylamino]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide
CID 25121833
6-[4-[(3-fluoroazetidin-1-yl)methyl]naphthalen-1-yl]oxypyridine-3-carboxamide;6-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide
CID 158474137
6-[[7-(pentylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide
CID 11416907
6-[2-(hydroxymethyl)phenoxy]pyridine-3-carboxylic acid
CID 55245031
2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]propanamide
CID 43279005
6-[[2-(2-phenylethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carboxamide
CID 66673107
6-[4-[2-[(4-hydroxycyclohexyl)amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 59730239
6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide
CID 59730242
2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide;hydrochloride
CID 17053366
1-[6-[[5-[(cyclopentylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-3-pyridinyl]ethanone
CID 142940273

Frequently Asked Questions

What is the IUPAC name of 6-[5-[[(4-tert-butylcyclohexyl)amino]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide?
The IUPAC name of 6-[5-[[(4-tert-butylcyclohexyl)amino]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide (CID 59401364) is 6-[5-[[(4-tert-butylcyclohexyl)amino]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for 6-[5-[[(4-tert-butylcyclohexyl)amino]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide?
The canonical SMILES for 6-[5-[[(4-tert-butylcyclohexyl)amino]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide is CC(C)(C)C1CCC(NCc2cccc3c(Oc4ccc(C(N)=O)cn4)cccc23)CC1.
What is the InChIKey of 6-[5-[[(4-tert-butylcyclohexyl)amino]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide?
The InChIKey is CORRDUNNLLZGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-27(2,3)20-11-13-21(14-12-20)29-16-18-6-4-8-23-22(18)7-5-9-24(23)32-25-15-10-19(17-30-25)26(28)31/h4-10,15,17,20-21,29H,11-14,16H2,1-3H3,(H2,28,31).
What are the key properties of 6-[5-[[(4-tert-butylcyclohexyl)amino]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide?
6-[5-[[(4-tert-butylcyclohexyl)amino]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 5.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[[(4-tert-butylcyclohexyl)amino]methyl]naphthalen-1-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 59401364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).