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

C26H24N4O3 — CID 58902443

IUPAC7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(NC(=O)N(C)C)c4)cc3c2)c1
InChIInChI=1S/C26H24N4O3/c1-17-5-4-6-21(13-17)28-25(31)19-8-7-18-9-10-22(15-20(18)14-19)33-23-11-12-27-24(16-23)29-26(32)30(2)3/h4-16H,1-3H3,(H,28,31)(H,27,29,32)
InChIKeyXZUYIXMAKCXOBU-UHFFFAOYSA-N
MW440.50 g/mol
LogP5.68
Rot. Bonds5

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

7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide (PubChem CID 58902443) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide
PubChem CID58902443
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(NC(=O)N(C)C)c4)cc3c2)c1
InChIInChI=1S/C26H24N4O3/c1-17-5-4-6-21(13-17)28-25(31)19-8-7-18-9-10-22(15-20(18)14-19)33-23-11-12-27-24(16-23)29-26(32)30(2)3/h4-16H,1-3H3,(H,28,31)(H,27,29,32)
InChIKeyXZUYIXMAKCXOBU-UHFFFAOYSA-N
XLogP5.68
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide;methane
CID 160836273
N-(3-methylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
CID 58902466
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
CID 3539312
N-(3-methylphenyl)-7-[[2-(morpholine-4-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
CID 58902209
2-pyrrolidin-1-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate
CID 66721690
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
2-morpholin-4-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate
CID 69440674
N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176276
6-[(2-acetamido-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)quinoline-3-carboxamide
CID 23585029
bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[[4-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]phenyl]carbamoyl]acetamide
CID 23153233
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
3-[(2-methyl-4-pyridinyl)amino]-N-(4-phenoxy-2-pyridinyl)benzamide
CID 170002489

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide?
The IUPAC name of 7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide (CID 58902443) is 7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide is Cc1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(NC(=O)N(C)C)c4)cc3c2)c1.
What is the InChIKey of 7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide?
The InChIKey is XZUYIXMAKCXOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-17-5-4-6-21(13-17)28-25(31)19-8-7-18-9-10-22(15-20(18)14-19)33-23-11-12-27-24(16-23)29-26(32)30(2)3/h4-16H,1-3H3,(H,28,31)(H,27,29,32).
What are the key properties of 7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide?
7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 5.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 58902443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).