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

C27H28N4O3 — CID 160836273

IUPAC7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide;methane
SMILESC.Cc1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(NC(=O)N(C)C)c4)cc3c2)c1
InChIInChI=1S/C26H24N4O3.CH4/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);1H4
InChIKeySHLHSVSHNGITNC-UHFFFAOYSA-N
MW456.55 g/mol
LogP6.32
Rot. Bonds5

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

7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide;methane (PubChem CID 160836273) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide;methane.

Molecular Properties

Compound Name7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide;methane
PubChem CID160836273
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide;methane
SMILESC.Cc1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(NC(=O)N(C)C)c4)cc3c2)c1
InChIInChI=1S/C26H24N4O3.CH4/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);1H4
InChIKeySHLHSVSHNGITNC-UHFFFAOYSA-N
XLogP6.32
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 56.32
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
CID 58902443
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;methane?
The IUPAC name of 7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide;methane (CID 160836273) is 7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide;methane.
What is the SMILES notation for 7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide;methane?
The canonical SMILES for 7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide;methane is C.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;methane?
The InChIKey is SHLHSVSHNGITNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3.CH4/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);1H4.
What are the key properties of 7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide;methane?
7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide;methane has a molecular weight of 456.55 g/mol, XLogP of 6.32, 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;methane is sourced from PubChem (CID 160836273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).