N-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide

C32H35N5O2 — CID 66721579

IUPACN-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
SMILES[H]/N=C(/c1cc(Oc2ccc3ccc(C(=O)Nc4cccc(C(C)(C)C)c4)cc3c2)ccn1)N1CCN(C)CC1
InChIInChI=1S/C32H35N5O2/c1-32(2,3)25-6-5-7-26(20-25)35-31(38)23-9-8-22-10-11-27(19-24(22)18-23)39-28-12-13-34-29(21-28)30(33)37-16-14-36(4)15-17-37/h5-13,18-21,33H,14-17H2,1-4H3,(H,35,38)/b33-30-
InChIKeyIAVHLZSRHKYVJP-MEIHLTSWSA-N
MW521.67 g/mol
LogP6.15
Rot. Bonds5

About N-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide

N-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide (PubChem CID 66721579) has the molecular formula C32H35N5O2 and a molecular weight of 521.67 g/mol. Its IUPAC name is N-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
PubChem CID66721579
Molecular FormulaC32H35N5O2
Molecular Weight521.67 g/mol
Exact Mass521.28
IUPAC NameN-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
SMILES[H]/N=C(/c1cc(Oc2ccc3ccc(C(=O)Nc4cccc(C(C)(C)C)c4)cc3c2)ccn1)N1CCN(C)CC1
InChIInChI=1S/C32H35N5O2/c1-32(2,3)25-6-5-7-26(20-25)35-31(38)23-9-8-22-10-11-27(19-24(22)18-23)39-28-12-13-34-29(21-28)30(33)37-16-14-36(4)15-17-37/h5-13,18-21,33H,14-17H2,1-4H3,(H,35,38)/b33-30-
InChIKeyIAVHLZSRHKYVJP-MEIHLTSWSA-N
XLogP6.15
TPSA81.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.67
LogP ≤ 56.15
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-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]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66721193
N-(3-tert-butylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66721731
2-pyrrolidin-1-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate
CID 66721690
2-morpholin-4-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate
CID 69440674
2-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]-1H-imidazole-5-carboxylic acid
CID 69438047
N-(3-tert-butylphenyl)-7-[(2-cyano-4-pyridinyl)oxy]naphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
CID 161171805
6-[(2-acetamido-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)quinoline-3-carboxamide
CID 23585029
7-[[2-[5-[(2-aminoethylamino)methyl]-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-(3-tert-butylphenyl)naphthalene-2-carboxamide
CID 69441789
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

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide?
The IUPAC name of N-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide (CID 66721579) is N-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide?
The canonical SMILES for N-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide is [H]/N=C(/c1cc(Oc2ccc3ccc(C(=O)Nc4cccc(C(C)(C)C)c4)cc3c2)ccn1)N1CCN(C)CC1.
What is the InChIKey of N-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide?
The InChIKey is IAVHLZSRHKYVJP-MEIHLTSWSA-N. The full InChI is InChI=1S/C32H35N5O2/c1-32(2,3)25-6-5-7-26(20-25)35-31(38)23-9-8-22-10-11-27(19-24(22)18-23)39-28-12-13-34-29(21-28)30(33)37-16-14-36(4)15-17-37/h5-13,18-21,33H,14-17H2,1-4H3,(H,35,38)/b33-30-.
What are the key properties of N-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide?
N-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide has a molecular weight of 521.67 g/mol, XLogP of 6.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide is sourced from PubChem (CID 66721579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).