4-[5-(2-ethylpentanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide

C24H27N3O3 — CID 143083791

IUPAC4-[5-(2-ethylpentanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCCCC(CC)C(=O)Nc1cccc2cc(Oc3ccnc(C(=O)NC)c3)ccc12
InChIInChI=1S/C24H27N3O3/c1-4-7-16(5-2)23(28)27-21-9-6-8-17-14-18(10-11-20(17)21)30-19-12-13-26-22(15-19)24(29)25-3/h6,8-16H,4-5,7H2,1-3H3,(H,25,29)(H,27,28)
InChIKeyPLVXHSUBJSXNEF-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.15
Rot. Bonds8

About 4-[5-(2-ethylpentanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide

4-[5-(2-ethylpentanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 143083791) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-[5-(2-ethylpentanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[5-(2-ethylpentanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID143083791
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name4-[5-(2-ethylpentanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCCCC(CC)C(=O)Nc1cccc2cc(Oc3ccnc(C(=O)NC)c3)ccc12
InChIInChI=1S/C24H27N3O3/c1-4-7-16(5-2)23(28)27-21-9-6-8-17-14-18(10-11-20(17)21)30-19-12-13-26-22(15-19)24(29)25-3/h6,8-16H,4-5,7H2,1-3H3,(H,25,29)(H,27,28)
InChIKeyPLVXHSUBJSXNEF-UHFFFAOYSA-N
XLogP5.15
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(2,2-dimethylpropanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
CID 59813172
4-[5-[[3,5-bis(trifluoromethyl)benzoyl]amino]naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide
CID 59813634
N-[6-[[2-[1-(methylamino)ethenyl]-4-pyridinyl]oxy]naphthalen-1-yl]-2-phenylacetamide
CID 143083701
N-methyl-4-[2-[[2-methyl-3-(methylamino)propanoyl]amino]phenoxy]pyridine-2-carboxamide
CID 119893191
2-ethyl-N-naphthalen-1-ylhexanamide
CID 3580350
N-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 56931255
4-[[2-(hexan-3-ylamino)-2,3-dihydro-1H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 143791165
4-[3-[[(4-methoxybenzoyl)amino]carbamoyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58858348
4-[2-(hydroxymethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 107713393
ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 138110037
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-ethylpentanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[5-(2-ethylpentanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide (CID 143083791) is 4-[5-(2-ethylpentanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[5-(2-ethylpentanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[5-(2-ethylpentanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide is CCCC(CC)C(=O)Nc1cccc2cc(Oc3ccnc(C(=O)NC)c3)ccc12.
What is the InChIKey of 4-[5-(2-ethylpentanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is PLVXHSUBJSXNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-4-7-16(5-2)23(28)27-21-9-6-8-17-14-18(10-11-20(17)21)30-19-12-13-26-22(15-19)24(29)25-3/h6,8-16H,4-5,7H2,1-3H3,(H,25,29)(H,27,28).
What are the key properties of 4-[5-(2-ethylpentanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide?
4-[5-(2-ethylpentanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-ethylpentanoylamino)naphthalen-2-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 143083791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).