N-(3-methylphenyl)-7-[[2-(morpholine-4-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide

C28H26N4O3 — CID 58902209

IUPACN-(3-methylphenyl)-7-[[2-(morpholine-4-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
SMILES[H]/N=C(/c1cc(Oc2ccc3ccc(C(=O)Nc4cccc(C)c4)cc3c2)ccn1)N1CCOCC1
InChIInChI=1S/C28H26N4O3/c1-19-3-2-4-23(15-19)31-28(33)21-6-5-20-7-8-24(17-22(20)16-21)35-25-9-10-30-26(18-25)27(29)32-11-13-34-14-12-32/h2-10,15-18,29H,11-14H2,1H3,(H,31,33)/b29-27-
InChIKeyCSRRRCVIPFJJFI-OHYPFYFLSA-N
MW466.54 g/mol
LogP5.25
Rot. Bonds5

About N-(3-methylphenyl)-7-[[2-(morpholine-4-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide

N-(3-methylphenyl)-7-[[2-(morpholine-4-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide (PubChem CID 58902209) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-(3-methylphenyl)-7-[[2-(morpholine-4-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-7-[[2-(morpholine-4-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
PubChem CID58902209
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC NameN-(3-methylphenyl)-7-[[2-(morpholine-4-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
SMILES[H]/N=C(/c1cc(Oc2ccc3ccc(C(=O)Nc4cccc(C)c4)cc3c2)ccn1)N1CCOCC1
InChIInChI=1S/C28H26N4O3/c1-19-3-2-4-23(15-19)31-28(33)21-6-5-20-7-8-24(17-22(20)16-21)35-25-9-10-30-26(18-25)27(29)32-11-13-34-14-12-32/h2-10,15-18,29H,11-14H2,1H3,(H,31,33)/b29-27-
InChIKeyCSRRRCVIPFJJFI-OHYPFYFLSA-N
XLogP5.25
TPSA87.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
CID 58902466
N-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
CID 66721579
7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide
CID 58902443
7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide;methane
CID 160836273
2-morpholin-4-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate
CID 69440674
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
CID 3539312
N-(3-tert-butylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66721731
4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1379071
N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959447
N-(3-acetylphenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082912
N-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66721193
2-[7-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]naphthalen-2-yl]acetic acid
CID 100926117

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-7-[[2-(morpholine-4-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide?
The IUPAC name of N-(3-methylphenyl)-7-[[2-(morpholine-4-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide (CID 58902209) is N-(3-methylphenyl)-7-[[2-(morpholine-4-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-7-[[2-(morpholine-4-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-7-[[2-(morpholine-4-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide is [H]/N=C(/c1cc(Oc2ccc3ccc(C(=O)Nc4cccc(C)c4)cc3c2)ccn1)N1CCOCC1.
What is the InChIKey of N-(3-methylphenyl)-7-[[2-(morpholine-4-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide?
The InChIKey is CSRRRCVIPFJJFI-OHYPFYFLSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-19-3-2-4-23(15-19)31-28(33)21-6-5-20-7-8-24(17-22(20)16-21)35-25-9-10-30-26(18-25)27(29)32-11-13-34-14-12-32/h2-10,15-18,29H,11-14H2,1H3,(H,31,33)/b29-27-.
What are the key properties of N-(3-methylphenyl)-7-[[2-(morpholine-4-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide?
N-(3-methylphenyl)-7-[[2-(morpholine-4-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-7-[[2-(morpholine-4-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide is sourced from PubChem (CID 58902209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).