N-(3-methylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide

C28H26N4O2 — CID 58902466

IUPACN-(3-methylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
SMILES[H]/N=C(/c1cc(Oc2ccc3ccc(C(=O)Nc4cccc(C)c4)cc3c2)ccn1)N1CCCC1
InChIInChI=1S/C28H26N4O2/c1-19-5-4-6-23(15-19)31-28(33)21-8-7-20-9-10-24(17-22(20)16-21)34-25-11-12-30-26(18-25)27(29)32-13-2-3-14-32/h4-12,15-18,29H,2-3,13-14H2,1H3,(H,31,33)/b29-27-
InChIKeyJLSDGNZJCQFIHU-OHYPFYFLSA-N
MW450.54 g/mol
LogP6.01
Rot. Bonds5

About N-(3-methylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide

N-(3-methylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide (PubChem CID 58902466) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(3-methylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
PubChem CID58902466
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC NameN-(3-methylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
SMILES[H]/N=C(/c1cc(Oc2ccc3ccc(C(=O)Nc4cccc(C)c4)cc3c2)ccn1)N1CCCC1
InChIInChI=1S/C28H26N4O2/c1-19-5-4-6-23(15-19)31-28(33)21-8-7-20-9-10-24(17-22(20)16-21)34-25-11-12-30-26(18-25)27(29)32-13-2-3-14-32/h4-12,15-18,29H,2-3,13-14H2,1H3,(H,31,33)/b29-27-
InChIKeyJLSDGNZJCQFIHU-OHYPFYFLSA-N
XLogP6.01
TPSA78.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(morpholine-4-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
CID 58902209
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
N-(3-tert-butylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66721731
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
CID 3539312
N-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66721193
2-pyrrolidin-1-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate
CID 66721690
4-methoxy-N-[3-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 99249750
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
4-N-(4-acetamidophenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091241
2-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109084786

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide?
The IUPAC name of N-(3-methylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide (CID 58902466) is N-(3-methylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide is [H]/N=C(/c1cc(Oc2ccc3ccc(C(=O)Nc4cccc(C)c4)cc3c2)ccn1)N1CCCC1.
What is the InChIKey of N-(3-methylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide?
The InChIKey is JLSDGNZJCQFIHU-OHYPFYFLSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-19-5-4-6-23(15-19)31-28(33)21-8-7-20-9-10-24(17-22(20)16-21)34-25-11-12-30-26(18-25)27(29)32-13-2-3-14-32/h4-12,15-18,29H,2-3,13-14H2,1H3,(H,31,33)/b29-27-.
What are the key properties of N-(3-methylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide?
N-(3-methylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 6.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide is sourced from PubChem (CID 58902466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).