N-[1-(6-amino-2-pyridinyl)ethyl]-5-(4-tert-butylphenoxy)naphthalene-2-carboxamide;ethane

C30H35N3O2 — CID 176698635

IUPACN-[1-(6-amino-2-pyridinyl)ethyl]-5-(4-tert-butylphenoxy)naphthalene-2-carboxamide;ethane
SMILESCC.CC(NC(=O)c1ccc2c(Oc3ccc(C(C)(C)C)cc3)cccc2c1)c1cccc(N)n1
InChIInChI=1S/C28H29N3O2.C2H6/c1-18(24-8-6-10-26(29)31-24)30-27(32)20-11-16-23-19(17-20)7-5-9-25(23)33-22-14-12-21(13-15-22)28(2,3)4;1-2/h5-18H,1-4H3,(H2,29,31)(H,30,32);1-2H3
InChIKeyRBNYMBXWBONPMC-UHFFFAOYSA-N
MW469.63 g/mol
LogP7.42
Rot. Bonds5

About N-[1-(6-amino-2-pyridinyl)ethyl]-5-(4-tert-butylphenoxy)naphthalene-2-carboxamide;ethane

N-[1-(6-amino-2-pyridinyl)ethyl]-5-(4-tert-butylphenoxy)naphthalene-2-carboxamide;ethane (PubChem CID 176698635) has the molecular formula C30H35N3O2 and a molecular weight of 469.63 g/mol. Its IUPAC name is N-[1-(6-amino-2-pyridinyl)ethyl]-5-(4-tert-butylphenoxy)naphthalene-2-carboxamide;ethane.

Molecular Properties

Compound NameN-[1-(6-amino-2-pyridinyl)ethyl]-5-(4-tert-butylphenoxy)naphthalene-2-carboxamide;ethane
PubChem CID176698635
Molecular FormulaC30H35N3O2
Molecular Weight469.63 g/mol
Exact Mass469.27
IUPAC NameN-[1-(6-amino-2-pyridinyl)ethyl]-5-(4-tert-butylphenoxy)naphthalene-2-carboxamide;ethane
SMILESCC.CC(NC(=O)c1ccc2c(Oc3ccc(C(C)(C)C)cc3)cccc2c1)c1cccc(N)n1
InChIInChI=1S/C28H29N3O2.C2H6/c1-18(24-8-6-10-26(29)31-24)30-27(32)20-11-16-23-19(17-20)7-5-9-25(23)33-22-14-12-21(13-15-22)28(2,3)4;1-2/h5-18H,1-4H3,(H2,29,31)(H,30,32);1-2H3
InChIKeyRBNYMBXWBONPMC-UHFFFAOYSA-N
XLogP7.42
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(1-methylimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213843
N-(4-aminobutan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214020
N-[(1S)-1-(1H-benzimidazol-4-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155223328
N-[(2R,3S)-4-amino-3-hydroxybutan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155223368
N-[(2S)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214013
methyl thiohypofluorite;1-pyrazin-2-ylethanamine;N-[(1R)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1-pyrazin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 161221161
N-[(1S)-1-(3-fluoroazetidin-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213896
N-[1-(1-benzothiophen-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214112
N-[(1S)-1-[6-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)phenyl]piperazin-1-yl]methyl]-2-pyridinyl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 177202253
3-hydroxy-3-[1-[[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]amino]ethyl]azetidine-1-carboxylic acid
CID 155213895
N-[(1R)-2-hydroxy-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213959
N-[(3Z)-4-chloro-3-ethenylhexa-3,5-dien-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155713238

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-amino-2-pyridinyl)ethyl]-5-(4-tert-butylphenoxy)naphthalene-2-carboxamide;ethane?
The IUPAC name of N-[1-(6-amino-2-pyridinyl)ethyl]-5-(4-tert-butylphenoxy)naphthalene-2-carboxamide;ethane (CID 176698635) is N-[1-(6-amino-2-pyridinyl)ethyl]-5-(4-tert-butylphenoxy)naphthalene-2-carboxamide;ethane.
What is the SMILES notation for N-[1-(6-amino-2-pyridinyl)ethyl]-5-(4-tert-butylphenoxy)naphthalene-2-carboxamide;ethane?
The canonical SMILES for N-[1-(6-amino-2-pyridinyl)ethyl]-5-(4-tert-butylphenoxy)naphthalene-2-carboxamide;ethane is CC.CC(NC(=O)c1ccc2c(Oc3ccc(C(C)(C)C)cc3)cccc2c1)c1cccc(N)n1.
What is the InChIKey of N-[1-(6-amino-2-pyridinyl)ethyl]-5-(4-tert-butylphenoxy)naphthalene-2-carboxamide;ethane?
The InChIKey is RBNYMBXWBONPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2.C2H6/c1-18(24-8-6-10-26(29)31-24)30-27(32)20-11-16-23-19(17-20)7-5-9-25(23)33-22-14-12-21(13-15-22)28(2,3)4;1-2/h5-18H,1-4H3,(H2,29,31)(H,30,32);1-2H3.
What are the key properties of N-[1-(6-amino-2-pyridinyl)ethyl]-5-(4-tert-butylphenoxy)naphthalene-2-carboxamide;ethane?
N-[1-(6-amino-2-pyridinyl)ethyl]-5-(4-tert-butylphenoxy)naphthalene-2-carboxamide;ethane has a molecular weight of 469.63 g/mol, XLogP of 7.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-amino-2-pyridinyl)ethyl]-5-(4-tert-butylphenoxy)naphthalene-2-carboxamide;ethane is sourced from PubChem (CID 176698635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).